Detailed information for compound 1657257

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 487.6 | Formula: C26H33N9O
  • H donors: 1 H acceptors: 4 LogP: 2.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C(=O)c1cc(cn1C)Nc1ncc2c(n1)n(C1CCCC1)c(c2)c1ccnn1C
  • InChi: 1S/C26H33N9O/c1-31-10-12-34(13-11-31)25(36)23-15-19(17-32(23)2)29-26-27-16-18-14-22(21-8-9-28-33(21)3)35(24(18)30-26)20-6-4-5-7-20/h8-9,14-17,20H,4-7,10-13H2,1-3H3,(H,27,29,30)
  • InChiKey: NDJAPUTXCKBOMQ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aurora kinase A Starlite/ChEMBL References
Homo sapiens aurora kinase B Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium vivax serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum hypothetical protein Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase , putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_126712 All targets in OG5_126712
Theileria parva cell division control protein 2 related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium knowlesi serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative Get druggable targets OG5_126712 All targets in OG5_126712
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi serine/threonine-protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine- protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani Aurora I-related kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium falciparum serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium berghei serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K08850 aurora kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 3 305 aa 303 aa 32.0 %
Trypanosoma brucei mitogen-activated protein kinase 5 aurora kinase B 303 aa 299 aa 22.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis AGC family protein kinase 0.0137 0.0449 0.1378
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.011 0.0268 0.0265
Toxoplasma gondii aurora kinase 0.0137 0.0449 0.1387
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.1906 0.5876
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.1906 0.5876
Trypanosoma brucei glucosamine 6-phosphate n-acetyltransferase 0.011 0.0268 0.0817
Toxoplasma gondii cathepsin CPL 0.0353 0.1906 0.588
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.011 0.0268 0.0817
Trypanosoma cruzi major cysteine proteinase, putative 0.0102 0.0215 0.0212
Leishmania major cathepsin L-like protease 0.0353 0.1906 0.5509
Onchocerca volvulus 0.0353 0.1906 0.461
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.011 0.0268 0.0265
Entamoeba histolytica cysteine proteinase, putative 0.0251 0.122 0.6397
Brugia malayi Cathepsin L-like precursor 0.0251 0.122 0.1027
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0353 0.1906 0.5876
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.1906 0.5876
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0353 0.1906 0.5876
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.011 0.0268 0.0265
Onchocerca volvulus 0.0353 0.1906 0.461
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0137 0.0449 0.2346
Plasmodium vivax vivapain-1 0.0204 0.09 0.3614
Schistosoma mansoni Mername-AA248 (C02 family) 0.0384 0.2112 0.1939
Trypanosoma cruzi cysteine peptidase, putative 0.0353 0.1906 0.1903
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0384 0.2112 0.2109
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.0215 0.0654
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.0215 0.0654
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0204 0.09 0.2771
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0552 0.3241 0.3093
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0204 0.09 0.0701
Plasmodium vivax unspecified product 0.0102 0.0215 0.0001
Trypanosoma cruzi cysteine peptidase, putative 0.0353 0.1906 0.1903
Leishmania major cathepsin L-like protease 0.0353 0.1906 0.5509
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1557 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.011 0.0268 0.0817
Trichomonas vaginalis hypothetical protein 0.011 0.0268 0.0817
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.0215 0.0654
Echinococcus multilocularis cathepsin L cysteine protease 0.0353 0.1906 0.1903
Toxoplasma gondii cathepsin B 0.0552 0.3241 1
Loa Loa (eye worm) hypothetical protein 0.0251 0.122 0.1027
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0353 0.1906 0.5876
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0137 0.0449 0.1237
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0384 0.2112 0.2109
Schistosoma mansoni protein kinase 0.0137 0.0449 0.024
Trypanosoma brucei cysteine peptidase C (CPC) 0.0552 0.3241 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0102 0.0215 0.0654
Leishmania major cysteine peptidase A (CPA) 0.0353 0.1906 0.5509
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.1906 0.5876
Giardia lamblia Aurora kinase 0.0137 0.0449 0.0775
Loa Loa (eye worm) AUR protein kinase 0.0137 0.0449 0.024
Brugia malayi Cathepsin L-like precursor 0.0353 0.1906 0.1728
Brugia malayi calpain family protein 1 0.1031 0.6465 0.6387
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Brugia malayi Papain family cysteine protease containing protein 0.0353 0.1906 0.1728
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0204 0.09 0.2771
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0251 0.122 0.3759
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0384 0.2112 0.6512
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0353 0.1906 0.5876
Plasmodium falciparum cysteine proteinase falcipain 1 0.0204 0.09 0.4054
Echinococcus multilocularis cysteine protease 0.0353 0.1906 0.1903
Brugia malayi Cathepsin L-like precursor 0.0353 0.1906 0.1728
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.011 0.0268 0.0265
Trypanosoma brucei calpain-like protein, putative 0.0384 0.2112 0.6512
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.1906 0.5876
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1557 1 1
Entamoeba histolytica cysteine proteinase 2 0.0204 0.09 0.4716
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.1098 0.6915 0.6847
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Echinococcus granulosus cathepsin b 0.1557 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.011 0.0268 0.0817
Plasmodium vivax vivapain-2 0.0353 0.1906 0.8914
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0384 0.2112 0.2109
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0204 0.09 0.0701
Echinococcus granulosus calpain A 0.11 0.6924 0.6923
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.011 0.0268 0.0265
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.011 0.0268 0.0265
Loa Loa (eye worm) hypothetical protein 0.0353 0.1906 0.1728
Trypanosoma cruzi aurora B kinase, putative 0.0137 0.0449 0.0446
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0384 0.2112 0.2109
Trypanosoma brucei antigen, putative 0.0384 0.2112 0.6512
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.011 0.0268 0.0817
Echinococcus multilocularis cysteine protease 0.0353 0.1906 0.1903
Giardia lamblia Cathepsin B precursor 0.0552 0.3241 1
Onchocerca volvulus Cathepsin F homolog 0.0353 0.1906 0.461
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0384 0.2112 0.2109
Entamoeba histolytica protein kinase, putative 0.0276 0.1385 0.7263
Plasmodium vivax vivapain-2 0.0353 0.1906 0.8914
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1557 1 1
Entamoeba histolytica cysteine protease, putative 0.0102 0.0215 0.1113
Schistosoma mansoni cathepsin F (C01 family) 0.0353 0.1906 0.1728
Entamoeba histolytica cysteine protease, putative 0.0102 0.0215 0.1113
Schistosoma mansoni calpain-7 (C02 family) 0.0384 0.2112 0.1939
Schistosoma mansoni calpain-2 (C02 family) 0.011 0.0268 0.0054
Trypanosoma cruzi conserved protein 0.011 0.0268 0.0265
Loa Loa (eye worm) calpain family protein 1 0.1031 0.6465 0.6387
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Plasmodium falciparum calpain 0.011 0.0268 0.0312
Brugia malayi serine/threonine protein kinase 6 0.0137 0.0449 0.024
Loa Loa (eye worm) calpain 0.0384 0.2112 0.1939
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0137 0.0449 0.0446
Loa Loa (eye worm) hypothetical protein 0.0922 0.5727 0.5633
Trichomonas vaginalis calpain, putative 0.011 0.0268 0.0817
Toxoplasma gondii hypothetical protein 0.011 0.0268 0.0826
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.1906 0.5876
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0384 0.2112 0.6512
Loa Loa (eye worm) hypothetical protein 0.0647 0.3883 0.3749
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.011 0.0268 0.0265
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0102 0.0215 0.0654
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0204 0.09 0.2771
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1557 1 1
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Entamoeba histolytica cysteine proteinase, putative 0.0204 0.09 0.4716
Echinococcus multilocularis cathepsin b 0.1557 1 1
Entamoeba histolytica calpain family cysteine protease, putative 0.011 0.0268 0.1391
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.011 0.0268 0.0817
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0102 0.0215 0.0654
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0552 0.3241 0.3239
Entamoeba histolytica protein kinase , putative 0.0137 0.0449 0.2346
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.011 0.0268 0.0265
Trypanosoma brucei Calpain-like protein CALP1.3 0.011 0.0268 0.0817
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.011 0.0268 0.0265
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.011 0.0268 0.0265
Echinococcus multilocularis hypothetical protein 0.0384 0.2112 0.2109
Loa Loa (eye worm) fibroinase 0.0353 0.1906 0.1728
Trichomonas vaginalis AGC family protein kinase 0.0137 0.0449 0.1378
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0102 0.0215 0.1113
Echinococcus multilocularis calpain A 0.11 0.6924 0.6923
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0384 0.2112 0.2109
Brugia malayi calpain 7 0.0384 0.2112 0.1939
Trypanosoma brucei cysteine peptidase, putative 0.011 0.0268 0.0817
Entamoeba histolytica cysteine protease, putative 0.0102 0.0215 0.1113
Giardia lamblia Cathepsin B precursor 0.0552 0.3241 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0102 0.0215 0.0654
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.0215 0.0654
Trichomonas vaginalis calpain, putative 0.011 0.0268 0.0817
Echinococcus granulosus cathepsin b 0.1557 1 1
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0353 0.1906 0.5876
Leishmania major cathepsin L-like protease 0.0353 0.1906 0.5509
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.011 0.0268 0.0265
Leishmania major protein kinase, putative 0.0137 0.0449 0.0611
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Plasmodium falciparum serine/threonine protein kinase, putative 0.0137 0.0449 0.1387
Trypanosoma brucei kinesin, putative 0.0274 0.1374 0.4233
Brugia malayi calpain D 0.011 0.0268 0.0054
Brugia malayi cathepsin L-like precursor 0.0251 0.122 0.1027
Plasmodium vivax unspecified product 0.0204 0.09 0.3614
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.011 0.0268 0.0265
Loa Loa (eye worm) calpain D 0.011 0.0268 0.0054
Trypanosoma cruzi cysteine proteinase, putative 0.0204 0.09 0.0898
Entamoeba histolytica protein kinase, putative 0.0137 0.0449 0.2346
Echinococcus multilocularis cathepsin L cysteine protease 0.0353 0.1906 0.1903
Trypanosoma cruzi kinesin, putative 0.0274 0.1374 0.1371
Trypanosoma cruzi cysteine peptidase, putative 0.0204 0.09 0.0898
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0215 0.0654
Brugia malayi Papain family cysteine protease containing protein 0.0204 0.09 0.0701
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0204 0.09 0.0701
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Echinococcus multilocularis aurora kinase A 0.0137 0.0449 0.0446
Loa Loa (eye worm) cathepsin B 0.0552 0.3241 0.3093
Echinococcus granulosus cathepsin L 0.0102 0.0215 0.0212
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.1098 0.6915 0.6914
Leishmania major cathepsin L-like protease 0.0353 0.1906 0.5509
Brugia malayi Cathepsin L-like cysteine proteinase 0.0251 0.122 0.1027
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0353 0.1906 0.1903
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0215 0.0654
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.1906 0.5876
Trypanosoma brucei hypothetical protein 0.011 0.0268 0.0817
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Echinococcus granulosus cathepsin l cysteine peptidase 0.0353 0.1906 0.1903
Echinococcus multilocularis cathepsin L 0.0204 0.09 0.0898
Trypanosoma cruzi calpain cysteine peptidase, putative 0.011 0.0268 0.0265
Brugia malayi Papain family cysteine protease containing protein 0.0204 0.09 0.0701
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.0215 0.0654
Echinococcus granulosus cathepsin l1 0.0251 0.122 0.1218
Trichomonas vaginalis calpain, putative 0.011 0.0268 0.0817
Echinococcus granulosus aurora kinase A 0.0137 0.0449 0.0446
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0353 0.1906 0.1728
Schistosoma mansoni cathepsin F (C01 family) 0.0353 0.1906 0.1728
Echinococcus multilocularis calpain 7 (C02 family) 0.0384 0.2112 0.2109
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.1906 0.5876
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0102 0.0215 0.1113
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0384 0.2112 0.6202
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0353 0.1906 0.5876
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Entamoeba histolytica calpain large subunit domain III containing protein 0.0274 0.1374 0.7204
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.1031 0.6465 0.6387
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.1906 0.5876
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.0215 0.0654
Echinococcus granulosus cysteine protease 0.0204 0.09 0.0898
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Schistosoma mansoni calpain-7 (C02 family) 0.0384 0.2112 0.1939
Leishmania major cathepsin L-like protease 0.0353 0.1906 0.5509
Brugia malayi Cathepsin L-like precursor 0.0251 0.122 0.1027
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.011 0.0268 0.0265
Brugia malayi serine/threonine-protein kinase 6 0.0137 0.0449 0.024
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0102 0.0215 0.0654
Trypanosoma brucei calpain-like protein, putative 0.0384 0.2112 0.6512
Trichomonas vaginalis AGC family protein kinase 0.0137 0.0449 0.1378
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0353 0.1906 1
Brugia malayi Cathepsin L-like precursor 0.0353 0.1906 0.1728
Trypanosoma brucei Calpain-like protein 2 0.011 0.0268 0.0817
Echinococcus granulosus cathepsin l1 0.0353 0.1906 0.1903
Trypanosoma brucei calpain-like protein, putative 0.0384 0.2112 0.6512
Brugia malayi Cathepsin L-like precursor 0.0353 0.1906 0.1728
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0552 0.3241 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.1906 0.5876
Onchocerca volvulus Cathepsin L homolog 0.0353 0.1906 0.461
Entamoeba histolytica protein kinase domain containing protein 0.0137 0.0449 0.2346
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0384 0.2112 0.2109
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.011 0.0268 0.0817
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0353 0.1906 0.5876
Echinococcus granulosus calpain A 0.0384 0.2112 0.2109
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.011 0.0268 0.0817
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0353 0.1906 0.5876
Loa Loa (eye worm) hypothetical protein 0.0251 0.122 0.1027
Entamoeba histolytica cysteine protease, putative 0.0353 0.1906 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0353 0.1906 0.5876
Trypanosoma brucei Calpain-like protein 1.2 0.011 0.0268 0.0817
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0384 0.2112 0.6202
Trypanosoma brucei calpain, putative 0.011 0.0268 0.0817
Brugia malayi calpain 5 0.011 0.0268 0.0054
Toxoplasma gondii calpain family cysteine protease domain-containing protein 0.011 0.0268 0.0826
Trichomonas vaginalis AGC family protein kinase 0.0137 0.0449 0.1378
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0137 0.0449 0.0446
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0102 0.0215 0.0654
Trypanosoma cruzi cysteine peptidase, putative 0.0353 0.1906 0.1903
Loa Loa (eye worm) calpain 5 0.0274 0.1374 0.1184
Brugia malayi serine/threonine kinase 12 0.0137 0.0449 0.024
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1557 1 1
Loa Loa (eye worm) AUR protein kinase 0.0137 0.0449 0.024
Toxoplasma gondii preprocathepsin c precursor, putative 0.0102 0.0215 0.0663
Loa Loa (eye worm) AUR protein kinase 0.0137 0.0449 0.024
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.011 0.0268 0.0817
Schistosoma mansoni hypothetical protein 0.011 0.0268 0.0054
Schistosoma mansoni serine/threonine protein kinase 0.0137 0.0449 0.024
Plasmodium falciparum cysteine proteinase falcipain 3 0.0353 0.1906 1
Leishmania major cathepsin L-like protease 0.0353 0.1906 0.5509
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0102 0.0215 0.0654
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Trypanosoma brucei aurora B kinase 0.0137 0.0449 0.1378
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0204 0.09 0.0898
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0251 0.122 0.1218
Loa Loa (eye worm) hypothetical protein 0.1557 1 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0137 0.0449 0.2346
Loa Loa (eye worm) hypothetical protein 0.011 0.0268 0.0054
Echinococcus granulosus calpain 7 C02 family 0.0384 0.2112 0.2109
Plasmodium vivax calpain, putative 0.0384 0.2112 1
Leishmania major kinesin, putative 0.0274 0.1374 0.3719
Trypanosoma cruzi cysteine protease, putative 0.0204 0.09 0.0898
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0268 0.0817
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Trypanosoma brucei calpain, putative 0.011 0.0268 0.0817
Schistosoma mansoni calpain C (C02 family) 0.0384 0.2112 0.1939
Loa Loa (eye worm) calpain family protein 1 0.0757 0.4621 0.4503
Toxoplasma gondii cathepsin CPC1 0.0102 0.0215 0.0663
Echinococcus granulosus cathepsin L cysteine proteinase 0.0353 0.1906 0.1903
Schistosoma mansoni cathepsin F (C01 family) 0.0251 0.122 0.1027
Loa Loa (eye worm) hypothetical protein 0.0757 0.4621 0.4503
Onchocerca volvulus 0.0353 0.1906 0.461
Onchocerca volvulus 0.0251 0.122 0.2741
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0137 0.0449 0.2346
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0384 0.2112 0.2109
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.011 0.0268 0.0817
Echinococcus multilocularis calpain 0.0384 0.2112 0.2109
Brugia malayi calpain 5 0.0274 0.1374 0.1184
Onchocerca volvulus Cathepsin L homolog 0.0353 0.1906 0.461
Trypanosoma brucei calpain-like protein, putative 0.0384 0.2112 0.6512
Echinococcus multilocularis cathepsin L 0.0102 0.0215 0.0212
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Loa Loa (eye worm) hypothetical protein 0.0251 0.122 0.1027
Brugia malayi calpain family protein 1 0.1031 0.6465 0.6387
Loa Loa (eye worm) hypothetical protein 0.1031 0.6465 0.6387
Trypanosoma cruzi cysteine proteinase, putative 0.0204 0.09 0.0898
Onchocerca volvulus 0.0353 0.1906 0.461
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.011 0.0268 0.0265
Entamoeba histolytica cysteine protease, putative 0.0102 0.0215 0.1113
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.0215 0.0654
Schistosoma mansoni calpain (C02 family) 0.0384 0.2112 0.1939
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.011 0.0268 0.0265
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0353 0.1906 0.5876
Trypanosoma cruzi cysteine peptidase, putative 0.0102 0.0215 0.0212
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.011 0.0268 0.0265
Entamoeba histolytica cysteine protease, putative 0.0102 0.0215 0.1113
Trypanosoma brucei cytoskeleton-associated protein CAP5.5, putative 0.011 0.0268 0.0817
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0353 0.1906 0.1728
Trypanosoma brucei Calpain-like protein 1.1 0.011 0.0268 0.0817
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.1906 0.5876
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0384 0.2112 0.6202
Loa Loa (eye worm) cysteine protease 0.0353 0.1906 0.1728
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0251 0.122 0.3759
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.1906 0.5876
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0353 0.1906 1
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0102 0.0215 0.0654
Trypanosoma cruzi cysteine peptidase, putative 0.0353 0.1906 0.1903
Leishmania major cathepsin L-like protease 0.0353 0.1906 0.5509
Echinococcus multilocularis calpain 5 0.0384 0.2112 0.2109
Echinococcus granulosus cathepsin L 0.0204 0.09 0.0898
Brugia malayi Cathepsin L-like precursor 0.0353 0.1906 0.1728
Entamoeba histolytica cysteine proteinase, putative 0.0204 0.09 0.4716
Entamoeba histolytica protein kinase, putative 0.0137 0.0449 0.2346
Entamoeba histolytica cysteine protease, putative 0.0102 0.0215 0.1113
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0353 0.1906 0.1903
Echinococcus multilocularis cathepsin b 0.1557 1 1
Onchocerca volvulus 0.0647 0.3883 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.011 0.0268 0.0265
Trypanosoma cruzi cruzipain precursor, putative 0.0353 0.1906 0.1903
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.0215 0.0654
Giardia lamblia Cathepsin B precursor 0.0552 0.3241 1
Echinococcus granulosus calpain 5 0.0384 0.2112 0.2109
Trypanosoma cruzi major cysteine proteinase, putative 0.0102 0.0215 0.0212
Trypanosoma cruzi cruzipain precursor, putative 0.0102 0.0215 0.0212
Onchocerca volvulus 0.0353 0.1906 0.461
Entamoeba histolytica hypothetical protein 0.0102 0.0215 0.1113
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0552 0.3241 1
Entamoeba histolytica cysteine proteinase, putative 0.0353 0.1906 1
Onchocerca volvulus 0.0353 0.1906 0.461
Entamoeba histolytica cysteine proteinase, putative 0.0204 0.09 0.4716
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0384 0.2112 0.2109
Trypanosoma cruzi kinesin, putative 0.0274 0.1374 0.1371
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.0215 0.0654
Entamoeba histolytica cysteine proteinase, putative 0.0204 0.09 0.4716
Plasmodium vivax vivapain-3 0.0204 0.09 0.3614
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.1098 0.6915 0.6847
Onchocerca volvulus 0.0353 0.1906 0.461
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0204 0.09 0.2771
Entamoeba histolytica cysteine proteinase 1, putative 0.0204 0.09 0.4716
Entamoeba histolytica cysteine proteinase, putative 0.0353 0.1906 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0353 0.1906 0.5876
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0384 0.2112 0.2109
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.1098 0.6915 0.6914
Leishmania major cathepsin L-like protease 0.0353 0.1906 0.5509
Loa Loa (eye worm) ctsf protein 0.0353 0.1906 0.1728
Echinococcus granulosus cathepsin L cysteine protease 0.0204 0.09 0.0898
Echinococcus multilocularis calpain family protein 1, d 0.0757 0.4621 0.4619
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.011 0.0268 0.0817
Brugia malayi Cathepsin L-like precursor 0.0353 0.1906 0.1728
Entamoeba histolytica cysteine protease, putative 0.0204 0.09 0.4716
Echinococcus granulosus calpain 0.0384 0.2112 0.2109
Toxoplasma gondii cathepsin CPC2 0.0102 0.0215 0.0663

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 1 uM Induction of cell cycle arrest in human HCT116 cells assessed as minimum concentration required for G2/M versus G1 peak ratio over 2 ChEMBL. 22607669
IC50 (binding) = 0.004 uM Inhibition of aurora B kinase ChEMBL. 22607669
IC50 (binding) = 0.005 uM Inhibition of aurora A kinase ChEMBL. 22607669
IC50 (functional) = 0.59 uM Antiproliferative activity against human HCT116 cells ChEMBL. 22607669
IC50 (binding) = 1.7 uM Inhibition of CDK1 ChEMBL. 22607669

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22607669

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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