TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 283.279 | Formula: C16H13NO4
H donors: 0 H acceptors: 2 LogP: 2.59 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)c(cn2C(=O)c1ccco1)C(=O)C
InChi: 1S/C16H13NO4/c1-10(18)13-9-17(16(19)15-4-3-7-21-15)14-6-5-11(20-2)8-12(13)14/h3-9H,1-2H3
InChiKey: PWCINHFEATWWBD-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0115	0.2891	0.2484
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0131	0.3467	0.2152
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0542	0.0542
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0047	0.0542	0.0523
Giardia lamblia	Cathepsin B precursor	0.0131	0.3467	1
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0192	0.5568	1
Brugia malayi	Cathepsin L-like precursor	0.0192	0.5568	0.5559
Loa Loa (eye worm)	hypothetical protein	0.0124	0.3219	0.3219
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0192	0.5568	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0192	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Loa Loa (eye worm)	hypothetical protein	0.0142	0.3851	0.3851
Echinococcus multilocularis	cathepsin L	0.0115	0.2891	0.2877
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0124	0.3219	0.283
Leishmania major	cathepsin L-like protease	0.0192	0.5568	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0115	0.2891	0.4674
Toxoplasma gondii	cathepsin B	0.0131	0.3467	0.582
Giardia lamblia	Cathepsin B precursor	0.0131	0.3467	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0192	0.5568	0.5314
Entamoeba histolytica	cysteine proteinase, putative	0.0115	0.2891	0.4674
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0068	0.1287	0.127
Onchocerca volvulus	Cathepsin L homolog	0.0192	0.5568	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0192	0.5568	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0047	0.0542	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1287	0.1287
Giardia lamblia	Cathepsin B precursor	0.0131	0.3467	1
Brugia malayi	cathepsin L-like precursor	0.0124	0.3219	0.3205
Echinococcus granulosus	cathepsin L cysteine protease	0.0115	0.2891	0.2877
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0321	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0192	0.5568	0.5314
Echinococcus granulosus	cathepsin l1	0.0192	0.5568	0.5559
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0047	0.0542	0.0523
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0192	0.5568	0.5568
Onchocerca volvulus		0.0124	0.3219	0.5766
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0192	0.5568	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0542	0.0542
Entamoeba histolytica	cysteine protease, putative	0.0192	0.5568	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0131	0.3467	0.3093
Brugia malayi	cathepsin F-like cysteine proteinase	0.0047	0.0542	0.0523
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0115	0.2891	0.2877
Onchocerca volvulus	Cathepsin F homolog	0.0192	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0131	0.3467	0.3454
Brugia malayi	Cathepsin L-like precursor	0.0192	0.5568	0.5559
Leishmania major	cathepsin L-like protease	0.0192	0.5568	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0068	0.1287	0.0788
Leishmania major	cysteine peptidase A (CPA)	0.0192	0.5568	1
Brugia malayi	Cathepsin L-like precursor	0.0068	0.1287	0.127
Entamoeba histolytica	cysteine proteinase, putative	0.0192	0.5568	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0115	0.2891	0.2877
Trypanosoma cruzi	cysteine peptidase, putative	0.0192	0.5568	0.5314
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0192	0.5568	1
Onchocerca volvulus		0.0192	0.5568	1
Plasmodium vivax	vivapain-1	0.0115	0.2891	0.4674
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0131	0.3467	0.582
Onchocerca volvulus		0.0192	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0115	0.2891	0.2877
Leishmania major	cathepsin L-like protease	0.0192	0.5568	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0192	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Brugia malayi	Cathepsin L-like precursor	0.0192	0.5568	0.5559
Brugia malayi	Cathepsin L-like precursor	0.0192	0.5568	0.5559
Brugia malayi	Cathepsin L-like precursor	0.0124	0.3219	0.3205
Onchocerca volvulus	Huntingtin homolog	0.0142	0.3851	0.6905
Entamoeba histolytica	cysteine proteinase, putative	0.0192	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0192	0.5568	1
Brugia malayi	cathepsin L precursor	0.0047	0.0542	0.0523
Schistosoma mansoni	cathepsin F (C01 family)	0.0124	0.3219	0.3205
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Leishmania major	cathepsin L-like protease	0.0192	0.5568	1
Trypanosoma cruzi	cysteine protease, putative	0.0115	0.2891	0.2484
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0321	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0115	0.2891	0.4674
Plasmodium vivax	vivapain-3	0.0115	0.2891	0.4674
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Brugia malayi	Papain family cysteine protease containing protein	0.0192	0.5568	0.5559
Schistosoma mansoni	cathepsin s	0.0068	0.1287	0.127
Echinococcus multilocularis	cathepsin L	0.0047	0.0542	0.0523
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0192	0.5568	0.5568
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0047	0.0542	0.0523
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0192	0.5568	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0321	1	1
Echinococcus granulosus	cathepsin l1	0.0124	0.3219	0.3205
Brugia malayi	Papain family cysteine protease containing protein	0.0047	0.0542	0.0523
Onchocerca volvulus		0.0192	0.5568	1
Onchocerca volvulus	Cathepsin L homolog	0.0192	0.5568	1
Onchocerca volvulus	Huntingtin homolog	0.0142	0.3851	0.6905
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0192	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0047	0.0542	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0321	1	1
Echinococcus multilocularis	cathepsin b	0.0321	1	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.5568	0.5568
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0192	0.5568	1
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0542	0.0542
Entamoeba histolytica	cysteine proteinase, putative	0.0115	0.2891	0.4674
Plasmodium vivax	vivapain-2	0.0192	0.5568	1
Schistosoma mansoni	cathepsin B (C01 family)	0.0047	0.0542	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0142	0.3851	0.3851
Loa Loa (eye worm)	cysteine protease	0.0192	0.5568	0.5568
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Toxoplasma gondii	cathepsin CPL	0.0192	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Echinococcus multilocularis	cathepsin L cysteine protease	0.0192	0.5568	0.5559
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0192	0.5568	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0115	0.2891	0.2484
Onchocerca volvulus		0.0192	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0192	0.5568	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0192	0.5568	0.5559
Leishmania major	cathepsin L-like protease	0.0192	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0192	0.5568	1
Echinococcus multilocularis	cysteine protease	0.0192	0.5568	0.5559
Echinococcus granulosus	cathepsin L	0.0115	0.2891	0.2877
Echinococcus granulosus	cysteine protease	0.0115	0.2891	0.2877
Onchocerca volvulus		0.0192	0.5568	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0192	0.5568	0.5559
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0047	0.0542	0.0523
Echinococcus granulosus	cathepsin b	0.0321	1	1
Brugia malayi	hypothetical protein	0.0142	0.3851	0.3838
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0192	0.5568	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1287	0.1287
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0115	0.2891	0.4674
Schistosoma mansoni	cathepsin F (C01 family)	0.0192	0.5568	0.5559
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0047	0.0542	0.0523
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0192	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674
Leishmania major	cathepsin L-like protease	0.0192	0.5568	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0192	0.5568	0.5559
Brugia malayi	Papain family cysteine protease containing protein	0.0047	0.0542	0.0523
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0321	1	1
Echinococcus multilocularis	cathepsin b	0.0321	1	1
Onchocerca volvulus		0.0047	0.0542	0.0942
Onchocerca volvulus		0.0192	0.5568	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.002	0.002
Trypanosoma cruzi	cysteine peptidase, putative	0.0192	0.5568	0.5314
Echinococcus multilocularis	cathepsin L cysteine protease	0.0192	0.5568	0.5559
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0192	0.5568	1
Loa Loa (eye worm)	ctsf protein	0.0192	0.5568	0.5568
Brugia malayi	fibroinase precursor	0.0047	0.0542	0.0523
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.3219	0.5326
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0192	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0192	0.5568	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0192	0.5568	0.5314
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0047	0.0542	0.0523
Entamoeba histolytica	cysteine proteinase 2	0.0115	0.2891	0.4674
Entamoeba histolytica	cysteine proteinase, putative	0.0115	0.2891	0.4674
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0192	0.5568	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0047	0.0542	0.0523
Brugia malayi	Papain family cysteine protease containing protein	0.0115	0.2891	0.2877
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0115	0.2891	0.4674
Loa Loa (eye worm)	hypothetical protein	0.0124	0.3219	0.3219
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0192	0.5568	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1287	0.1287
Schistosoma mansoni	cathepsin F (C01 family)	0.0192	0.5568	0.5559
Echinococcus granulosus	cathepsin b	0.0321	1	1
Leishmania major	cathepsin L-like protease	0.0192	0.5568	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0321	1	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0047	0.0542	0.0523
Plasmodium vivax	unspecified product	0.0115	0.2891	0.4674
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.3219	0.5326
Schistosoma mansoni	cathepsin C	0.0047	0.0542	0.0523
Plasmodium vivax	unspecified product	0.0068	0.1287	0.1483
Entamoeba histolytica	cysteine proteinase, putative	0.0124	0.3219	0.5326
Onchocerca volvulus		0.0192	0.5568	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0124	0.3219	0.3205
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0192	0.5568	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0192	0.5568	0.5559
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Loa Loa (eye worm)	fibroinase	0.0192	0.5568	0.5568
Loa Loa (eye worm)	cathepsin B	0.0131	0.3467	0.3467
Brugia malayi	cathepsin L-like cysteine proteinase	0.0047	0.0542	0.0523
Trypanosoma cruzi	cysteine proteinase, putative	0.0115	0.2891	0.2484
Brugia malayi	cathepsin F-like cysteine proteinase	0.0068	0.1287	0.127
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0047	0.0542	0.0523
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0192	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0192	0.5568	1
Echinococcus granulosus	cathepsin L	0.0047	0.0542	0.0523
Trypanosoma cruzi	cysteine proteinase, putative	0.0115	0.2891	0.2484
Brugia malayi	Papain family cysteine protease containing protein	0.0047	0.0542	0.0523
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0047	0.0542	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0542	0.0542
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0047	0.0542	0.0542
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.002	0.002
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0047	0.0542	0.0523
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0068	0.1287	0.1287
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0047	0.0542	0.0523
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Onchocerca volvulus	Cathepsin L homolog	0.0047	0.0542	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0542	0.0542
Brugia malayi	Cathepsin L-like precursor	0.0192	0.5568	0.5559
Brugia malayi	Cathepsin L-like precursor	0.0192	0.5568	0.5559
Leishmania major	cathepsin L-like protease	0.0192	0.5568	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0047	0.0542	0.0542
Brugia malayi	Cathepsin L-like precursor	0.0124	0.3219	0.3205
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0542	0.0542
Plasmodium vivax	vivapain-2	0.0192	0.5568	1
Brugia malayi	Papain family cysteine protease containing protein	0.0115	0.2891	0.2877
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.1287	0.0788
Entamoeba histolytica	cysteine proteinase, putative	0.0115	0.2891	0.4674
Loa Loa (eye worm)	hypothetical protein	0.0124	0.3219	0.3219
Echinococcus multilocularis	cysteine protease	0.0192	0.5568	0.5559
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.5568	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0192	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.0115	0.2891	0.4674

Activities

Activity type	Activity value	Assay description	Source	Reference
Effect (functional)	0	Effect of compound (10 uM) on doxorubicin-induced cytotoxicity towards T98G cell line expressing multidrug resistance associated protein 1 (MRP-1); Active	ChEMBL.	15715484

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 312389