Detailed information for compound 402242

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1005.12 | Formula: C46H72N10O15
  • H donors: 13 H acceptors: 15 LogP: 0.53 Rotable bonds: 39
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(=O)O)CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)C)C
  • InChi: 1S/C46H72N10O15/c1-11-24(8)38(45(69)52-30(18-33(47)59)41(65)51-31(19-35(61)62)42(66)53-32(46(70)71)16-21(2)3)56-44(68)37(23(6)7)55-43(67)36(22(4)5)54-34(60)20-48-39(63)25(9)49-40(64)29(50-26(10)57)17-27-12-14-28(58)15-13-27/h12-15,21-25,29-32,36-38,58H,11,16-20H2,1-10H3,(H2,47,59)(H,48,63)(H,49,64)(H,50,57)(H,51,65)(H,52,69)(H,53,66)(H,54,60)(H,55,67)(H,56,68)(H,61,62)(H,70,71)/t24-,25+,29+,30+,31+,32+,36+,37+,38+/m1/s1
  • InChiKey: XNKWVVKWYAKSKL-FIMHQZNMSA-N  


Substructure search Similarity search

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 ribonucleotide reductase M1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi ribonucleoside-diphosphate reductase large subunit, putative Get druggable targets OG5_126839 All targets in OG5_126839
Trypanosoma congolense ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Echinococcus multilocularis ribonucleoside diphosphate reductase large Get druggable targets OG5_126839 All targets in OG5_126839
Plasmodium berghei ribonucleoside-diphosphate reductase large subunit, putative Get druggable targets OG5_126839 All targets in OG5_126839
Trypanosoma brucei gambiense ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative Get druggable targets OG5_126839 All targets in OG5_126839
Leishmania donovani ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Leishmania major ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha Get druggable targets OG5_126839 All targets in OG5_126839
Echinococcus granulosus ribonucleoside diphosphate reductase large Get druggable targets OG5_126839 All targets in OG5_126839
Theileria parva ribonucleotide-diphosphate reductase large subunit, putative Get druggable targets OG5_126839 All targets in OG5_126839
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit Get druggable targets OG5_126839 All targets in OG5_126839
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha Get druggable targets OG5_126839 All targets in OG5_126839
Cryptosporidium parvum ribonucleotide-diphosphate reductase large chain; RIR1; c-terminal PFL-like glycyl radical enzymes-like fold Get druggable targets OG5_126839 All targets in OG5_126839
Leishmania mexicana ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Leishmania braziliensis ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Candida albicans one of two likely ribonucleotide reductase large subunit genes similar to S. cerevisiae RNR1 (YER070W) and RNR3 (YIL066C) Get druggable targets OG5_126839 All targets in OG5_126839
Candida albicans one of two likely ribonucleotide reductase large subunit genes similar to S. cerevisiae RNR1 (YER070W) and RNR3 (YIL066C) Get druggable targets OG5_126839 All targets in OG5_126839
Schistosoma japonicum ko:K00525 ribonucleoside-diphosphate reductase alpha chain [EC1.17.4.1A], putative Get druggable targets OG5_126839 All targets in OG5_126839
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) Get druggable targets OG5_126839 All targets in OG5_126839
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit Get druggable targets OG5_126839 All targets in OG5_126839
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Leishmania infantum ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Cryptosporidium hominis ribonucleoside-diphosphate reductase large chain (ribonucleotide reductase R1 subunit) Get druggable targets OG5_126839 All targets in OG5_126839
Trypanosoma congolense ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Neospora caninum ribonucleoside-diphosphate reductase, large subunit, putative Get druggable targets OG5_126839 All targets in OG5_126839
Candida albicans one of two likely ribonucleotide reductase large subunit genes similar to S. cerevisiae RNR1 (YER070W) and RNR3 (YIL066C) Get druggable targets OG5_126839 All targets in OG5_126839
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha Get druggable targets OG5_126839 All targets in OG5_126839
Candida albicans one of two likely ribonucleotide reductase large subunit genes similar to S. cerevisiae RNR1 (YER070W) and RNR3 (YIL066C) Get druggable targets OG5_126839 All targets in OG5_126839
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) Get druggable targets OG5_126839 All targets in OG5_126839
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Plasmodium yoelii ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Babesia bovis ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) Get druggable targets OG5_126839 All targets in OG5_126839
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha Get druggable targets OG5_126839 All targets in OG5_126839
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0467 0.6569 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0318 0.3906 0.3906
Onchocerca volvulus 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0467 0.6569 1
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0273 0.3093 0.3093
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0121 0.0379 0.0578
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0121 0.0379 0.0578
Echinococcus granulosus cathepsin b 0.0658 1 1
Loa Loa (eye worm) hypothetical protein 0.0658 1 1
Loa Loa (eye worm) hypothetical protein 0.0467 0.6569 0.6569
Brugia malayi Cathepsin L-like precursor 0.0467 0.6569 0.6569
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0318 0.3906 0.5946
Loa Loa (eye worm) cysteine protease 0.0467 0.6569 0.6569
Trypanosoma cruzi cysteine peptidase, putative 0.0249 0.2663 0.2663
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0121 0.0379 0.0578
Schistosoma mansoni cathepsin F (C01 family) 0.0467 0.6569 0.6569
Onchocerca volvulus Cathepsin L homolog 0.0467 0.6569 1
Plasmodium vivax vivapain-2 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Onchocerca volvulus 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0467 0.6569 1
Trypanosoma cruzi cysteine protease, putative 0.0249 0.2663 0.2663
Echinococcus granulosus cathepsin L 0.0249 0.2663 0.2663
Trypanosoma cruzi cysteine peptidase, putative 0.0467 0.6569 0.6569
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Leishmania major cathepsin L-like protease 0.0467 0.6569 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0273 0.3093 0.4708
Brugia malayi Cathepsin L-like precursor 0.0318 0.3906 0.3906
Plasmodium vivax vivapain-2 0.0467 0.6569 1
Plasmodium vivax unspecified product 0.0249 0.2663 0.4054
Leishmania major cysteine peptidase A (CPA) 0.0467 0.6569 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0467 0.6569 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0658 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0249 0.2663 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0249 0.2663 0.2663
Giardia lamblia Cathepsin B precursor 0.0273 0.3093 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0467 0.6569 1
Trypanosoma cruzi cysteine peptidase, putative 0.0467 0.6569 0.6569
Schistosoma mansoni cathepsin s 0.0149 0.0867 0.0867
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0121 0.0379 0.5
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0467 0.6569 0.6569
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0467 0.6569 1
Echinococcus granulosus cathepsin b 0.0658 1 1
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0249 0.2663 0.4054
Brugia malayi Cathepsin L-like precursor 0.0467 0.6569 0.6569
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0467 0.6569 0.6569
Giardia lamblia Cathepsin B precursor 0.0273 0.3093 1
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0658 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0467 0.6569 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0467 0.6569 0.6569
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0249 0.2663 0.2663
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0467 0.6569 0.6569
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0467 0.6569 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0467 0.6569 0.6569
Loa Loa (eye worm) hypothetical protein 0.0318 0.3906 0.3906
Trypanosoma cruzi cysteine peptidase, putative 0.0467 0.6569 0.6569
Trypanosoma cruzi cruzipain precursor, putative 0.0467 0.6569 0.6569
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0149 0.0867 0.0867
Loa Loa (eye worm) hypothetical protein 0.0149 0.0867 0.0867
Loa Loa (eye worm) hypothetical protein 0.0318 0.3906 0.3906
Leishmania major cathepsin L-like protease 0.0467 0.6569 1
Echinococcus granulosus cysteine protease 0.0249 0.2663 0.2663
Schistosoma mansoni cathepsin F (C01 family) 0.0318 0.3906 0.3906
Onchocerca volvulus 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0467 0.6569 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0467 0.6569 1
Brugia malayi Cathepsin L-like precursor 0.0467 0.6569 0.6569
Brugia malayi Cathepsin L-like precursor 0.0318 0.3906 0.3906
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0102 0.0038 0.0058
Brugia malayi Cathepsin L-like precursor 0.0149 0.0867 0.0867
Leishmania major cathepsin L-like protease 0.0467 0.6569 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0467 0.6569 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0273 0.3093 0.3093
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0467 0.6569 1
Plasmodium vivax vivapain-3 0.0249 0.2663 0.4054
Brugia malayi Cathepsin L-like cysteine proteinase 0.0318 0.3906 0.3906
Brugia malayi Cathepsin L-like precursor 0.0467 0.6569 0.6569
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0249 0.2663 0.2663
Leishmania major cathepsin L-like protease 0.0467 0.6569 1
Entamoeba histolytica cysteine proteinase 2 0.0249 0.2663 0.4054
Loa Loa (eye worm) hypothetical protein 0.0318 0.3906 0.3906
Plasmodium falciparum cysteine proteinase falcipain 1 0.0249 0.2663 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0249 0.2663 0.369
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0467 0.6569 1
Entamoeba histolytica cysteine proteinase, putative 0.0318 0.3906 0.5946
Brugia malayi cathepsin L-like precursor 0.0318 0.3906 0.3906
Schistosoma mansoni cathepsin D (A01 family) 0.0143 0.0766 0.0766
Onchocerca volvulus 0.0467 0.6569 1
Toxoplasma gondii cathepsin CPL 0.0467 0.6569 1
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0121 0.0379 0.0379
Trypanosoma cruzi cysteine peptidase, putative 0.0149 0.0867 0.0867
Trypanosoma brucei cysteine peptidase C (CPC) 0.0273 0.3093 0.4384
Onchocerca volvulus 0.0318 0.3906 0.5946
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0467 0.6569 1
Plasmodium vivax vivapain-1 0.0249 0.2663 0.4054
Leishmania major cathepsin L-like protease 0.0467 0.6569 1
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0121 0.0379 0.0379
Entamoeba histolytica cysteine protease, putative 0.0467 0.6569 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0149 0.0867 0.0867
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0102 0.0038 0.5
Plasmodium falciparum cysteine proteinase falcipain 3 0.0467 0.6569 1
Brugia malayi Cathepsin L-like precursor 0.0467 0.6569 0.6569
Brugia malayi Cathepsin L-like precursor 0.0467 0.6569 0.6569
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0121 0.0379 0.0379
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0121 0.0379 0.0379
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0273 0.3093 0.4384
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Echinococcus multilocularis cysteine protease 0.0467 0.6569 0.6569
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Loa Loa (eye worm) cathepsin B 0.0273 0.3093 0.3093
Schistosoma mansoni cathepsin F (C01 family) 0.0467 0.6569 0.6569
Loa Loa (eye worm) hypothetical protein 0.0149 0.0867 0.0867
Entamoeba histolytica cysteine proteinase, putative 0.0249 0.2663 0.4054
Trypanosoma cruzi cysteine proteinase, putative 0.0249 0.2663 0.2663
Leishmania major cathepsin L-like protease 0.0467 0.6569 1
Echinococcus multilocularis cathepsin b 0.0658 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0249 0.2663 0.4054
Giardia lamblia Cathepsin B precursor 0.0273 0.3093 1
Brugia malayi Papain family cysteine protease containing protein 0.0467 0.6569 0.6569
Loa Loa (eye worm) hypothetical protein 0.0149 0.0867 0.0867
Echinococcus granulosus cathepsin l1 0.0467 0.6569 0.6569
Echinococcus multilocularis cathepsin b 0.0658 1 1
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0121 0.0379 0.0379
Trypanosoma cruzi cysteine proteinase, putative 0.0249 0.2663 0.2663
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0467 0.6569 1
Entamoeba histolytica cysteine proteinase, putative 0.0467 0.6569 1
Plasmodium vivax unspecified product 0.0149 0.0867 0.132
Echinococcus granulosus cathepsin L cysteine protease 0.0249 0.2663 0.2663
Onchocerca volvulus Cathepsin L homolog 0.0467 0.6569 1
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Schistosoma mansoni cathepsin D (A01 family) 0.0143 0.0766 0.0766
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Onchocerca volvulus 0.0467 0.6569 1
Echinococcus granulosus cathepsin l1 0.0318 0.3906 0.3906
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0658 1 1
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Loa Loa (eye worm) fibroinase 0.0467 0.6569 0.6569
Leishmania major cathepsin L-like protease 0.0467 0.6569 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0658 1 1
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0102 0.0038 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0467 0.6569 1
Onchocerca volvulus Cathepsin F homolog 0.0467 0.6569 1
Loa Loa (eye worm) ctsf protein 0.0467 0.6569 0.6569
Toxoplasma gondii cathepsin B 0.0273 0.3093 0.4708
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0467 0.6569 1
Leishmania major cathepsin L-like protease 0.0467 0.6569 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0467 0.6569 0.6569
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0467 0.6569 1
Entamoeba histolytica cysteine proteinase, putative 0.0249 0.2663 0.4054
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0121 0.0379 0.0379
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0249 0.2663 0.369
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0249 0.2663 0.4054
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0102 0.0038 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0467 0.6569 1
Entamoeba histolytica cysteine protease, putative 0.0249 0.2663 0.4054
Entamoeba histolytica cysteine proteinase 1, putative 0.0249 0.2663 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0467 0.6569 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0467 0.6569 0.6569
Echinococcus multilocularis cathepsin L 0.0249 0.2663 0.2663
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0149 0.0867 0.0867
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Echinococcus multilocularis cysteine protease 0.0467 0.6569 0.6569
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0467 0.6569 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0658 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0249 0.2663 0.2663
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0318 0.3906 0.5946
Trypanosoma cruzi cysteine peptidase, putative 0.0467 0.6569 0.6569
Onchocerca volvulus 0.0467 0.6569 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0467 0.6569 0.6569
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0121 0.0379 0.5
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0102 0.0038 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0467 0.6569 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0249 0.2663 0.2663
Trypanosoma cruzi cruzipain precursor, putative 0.0149 0.0867 0.0867
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0249 0.2663 0.2663
Entamoeba histolytica cysteine proteinase, putative 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0467 0.6569 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.7 uM Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding ChEMBL. 1310120
IC50 (binding) = 3.7 uM Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding ChEMBL. 1310120
Inhibition (binding) = 83 % Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding relative to Ac-VZV R2-(298-306) ChEMBL. 1310120
Inhibition (binding) = 83 % Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding relative to Ac-VZV R2-(298-306) ChEMBL. 1310120

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.