TDR Targets

Basic information

Technical information

TDR Targets ID: 330223
Name: 1-(2,2-dimethylpropyl)-4-propyl-5-[4-[4-(2H-t etrazol-5-yl)phenoxy]butoxy]indazole
MW: 462.587 | Formula: C26H34N6O2
H donors: 1 H acceptors: 4 LogP: 6.13 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCCc1c(OCCCCOc2ccc(cc2)c2n[nH]nn2)ccc2c1cnn2CC(C)(C)C
InChi: 1S/C26H34N6O2/c1-5-8-21-22-17-27-32(18-26(2,3)4)23(22)13-14-24(21)34-16-7-6-15-33-20-11-9-19(10-12-20)25-28-30-31-29-25/h9-14,17H,5-8,15-16,18H2,1-4H3,(H,28,29,30,31)
InChiKey: KONDYWKRIXOJDF-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

1-(2,2-dimethylpropyl)-4-propyl-5-[4-[4-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]indazole
1-neopentyl-4-propyl-5-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]indazole

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutamate receptor, metabotropic 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Metabotropic glutamate receptor precursor, putative	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus multilocularis	metabotropic glutamate receptor 5	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus granulosus	metabotropic glutamate receptor 5	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus granulosus	metabotropic glutamate receptor 2	Get druggable targets OG5_127095	All targets in OG5_127095
Loa Loa (eye worm)	glutamate receptor	Get druggable targets OG5_127095	All targets in OG5_127095
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	ko:K04606 glutamate receptor, metabotropic 3, putative	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus multilocularis	metabotropic glutamate receptor 2	Get druggable targets OG5_127095	All targets in OG5_127095
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	Get druggable targets OG5_127095	All targets in OG5_127095
Brugia malayi	Metabotropic glutamate receptor precursor.	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma mansoni	metabotropic glutamate receptor	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	Get druggable targets OG5_127095	All targets in OG5_127095

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
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Plasmodium vivax	vivapain-2	0.0167	0.965	1
Onchocerca volvulus		0.0167	0.965	1
Leishmania major	cathepsin L-like protease	0.0167	0.965	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0167	0.965	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.965	0.965
Brugia malayi	Cathepsin L-like precursor	0.0167	0.965	0.965
Trypanosoma cruzi	cysteine peptidase, putative	0.0167	0.965	0.965
Trypanosoma cruzi	cysteine protease, putative	0.0088	0.3912	0.3912
Plasmodium vivax	vivapain-2	0.0167	0.965	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0167	0.965	0.965
Echinococcus multilocularis	cysteine protease	0.0167	0.965	0.965
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0167	0.965	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0167	0.965	0.965
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.3912	0.125
Brugia malayi	Cathepsin L-like precursor	0.0167	0.965	0.965
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1419	0.1419
Loa Loa (eye worm)	ctsf protein	0.0167	0.965	0.965
Trypanosoma cruzi	cysteine proteinase, putative	0.0088	0.3912	0.3912
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.3912	0.125
Toxoplasma gondii	cathepsin CPL	0.0167	0.965	1
Entamoeba histolytica	cysteine proteinase, putative	0.0167	0.965	1
Leishmania major	cathepsin L-like protease	0.0167	0.965	1
Brugia malayi	cathepsin L-like precursor	0.0113	0.5738	0.5738
Entamoeba histolytica	cysteine protease, putative	0.0167	0.965	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0167	0.965	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.965	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0167	0.965	0.965
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0054	0.1419	0.1419
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0088	0.3912	0.3912
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0055	0.1529	0.1529
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0113	0.5738	0.5738
Echinococcus multilocularis	cathepsin L cysteine protease	0.0167	0.965	0.965
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Echinococcus multilocularis	cathepsin L	0.0088	0.3912	0.3912
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.965	1
Brugia malayi	Cathepsin L-like precursor	0.0167	0.965	0.965
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2972	0.2972
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0077	0.3093	0.3093
Toxoplasma gondii	cathepsin B	0.0077	0.3093	0.3205
Entamoeba histolytica	cysteine proteinase, putative	0.0088	0.3912	0.4054
Echinococcus multilocularis	cathepsin b	0.0172	1	1
Loa Loa (eye worm)	hypothetical protein	0.0172	1	1
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0113	0.5738	0.5738
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.965	1
Plasmodium vivax	vivapain-3	0.0088	0.3912	0.4054
Giardia lamblia	Cathepsin B precursor	0.0077	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.3912	0.4054
Echinococcus multilocularis	cysteine protease	0.0167	0.965	0.965
Onchocerca volvulus		0.0167	0.965	1
Plasmodium vivax	unspecified product	0.0088	0.3912	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0167	0.965	1
Onchocerca volvulus	Cathepsin L homolog	0.0167	0.965	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0054	0.1419	0.1419
Schistosoma mansoni	cathepsin F (C01 family)	0.0113	0.5738	0.5738
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.3912	0.4054
Loa Loa (eye worm)	glutamate receptor	0.0061	0.1946	0.1946
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1419	0.1419
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.965	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0167	0.965	0.965
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0172	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0167	0.965	1
Echinococcus multilocularis	cathepsin b	0.0172	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0088	0.3912	0.3912
Leishmania major	cysteine peptidase A (CPA)	0.0167	0.965	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0167	0.965	1
Leishmania major	cathepsin L-like protease	0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.965	1
Echinococcus granulosus	cathepsin l1	0.0113	0.5738	0.5738
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0167	0.965	0.965
Giardia lamblia	Cathepsin B precursor	0.0077	0.3093	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0167	0.965	0.965
Entamoeba histolytica	cysteine proteinase, putative	0.0088	0.3912	0.4054
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0075	0.2972	0.2972
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1419	0.1419
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0167	0.965	0.965
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0051	0.1226	0.1226
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0088	0.3912	0.3912
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0167	0.965	1
Onchocerca volvulus		0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Entamoeba histolytica	cysteine proteinase 2	0.0088	0.3912	0.4054
Plasmodium vivax	vivapain-1	0.0088	0.3912	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0167	0.965	1
Echinococcus granulosus	cathepsin L	0.0088	0.3912	0.3912
Brugia malayi	Papain family cysteine protease containing protein	0.0088	0.3912	0.3912
Brugia malayi	cathepsin F-like cysteine proteinase	0.0054	0.1419	0.1419
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0167	0.965	1
Schistosoma mansoni	cathepsin s	0.0054	0.1419	0.1419
Loa Loa (eye worm)	hypothetical protein	0.0113	0.5738	0.5738
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0167	0.965	1
Onchocerca volvulus		0.0113	0.5738	0.5946
Brugia malayi	Cathepsin L-like precursor	0.0167	0.965	0.965
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0088	0.3912	0.3912
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0113	0.5738	0.5738
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0077	0.3093	0.3205
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0088	0.3912	0.4054
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0061	0.1946	0.1946
Trypanosoma cruzi	cysteine peptidase, putative	0.0054	0.1419	0.1419
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Onchocerca volvulus	Cathepsin F homolog	0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.965	1
Leishmania major	cathepsin L-like protease	0.0167	0.965	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0051	0.1226	0.1226
Loa Loa (eye worm)	cathepsin B	0.0077	0.3093	0.3093
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.965	1
Brugia malayi	Cathepsin L-like precursor	0.0054	0.1419	0.1419
Brugia malayi	Papain family cysteine protease containing protein	0.0088	0.3912	0.3912
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0172	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0088	0.3912	0.3912
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Brugia malayi	Papain family cysteine protease containing protein	0.0167	0.965	0.965
Brugia malayi	Cathepsin L-like precursor	0.0167	0.965	0.965
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0167	0.965	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0167	0.965	0.965
Trypanosoma cruzi	cysteine peptidase, putative	0.0167	0.965	0.965
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0069	0.2555	0.2555
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Onchocerca volvulus		0.0167	0.965	1
Onchocerca volvulus		0.0167	0.965	1
Entamoeba histolytica	cysteine proteinase, putative	0.0113	0.5738	0.5946
Loa Loa (eye worm)	fibroinase	0.0167	0.965	0.965
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0167	0.965	1
Brugia malayi	Cathepsin L-like precursor	0.0167	0.965	0.965
Loa Loa (eye worm)	hypothetical protein	0.0113	0.5738	0.5738
Echinococcus granulosus	cathepsin l1	0.0167	0.965	0.965
Echinococcus granulosus	cysteine protease	0.0088	0.3912	0.3912
Entamoeba histolytica	cysteine proteinase, putative	0.0088	0.3912	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0167	0.965	0.965
Trypanosoma cruzi	cysteine peptidase, putative	0.0088	0.3912	0.3912
Loa Loa (eye worm)	cysteine protease	0.0167	0.965	0.965
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0077	0.3093	0.3093
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0172	1	1
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0172	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0167	0.965	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0172	1	1
Plasmodium vivax	unspecified product	0.0054	0.1419	0.1471
Trypanosoma cruzi	cysteine peptidase, putative	0.0167	0.965	0.965
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0075	0.2972	0.2972
Entamoeba histolytica	cysteine proteinase 1, putative	0.0088	0.3912	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0167	0.965	0.965
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.5738	0.5738
Echinococcus granulosus	cathepsin b	0.0172	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0054	0.1419	0.1419
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0167	0.965	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0088	0.3912	0.3912
Entamoeba histolytica	cysteine proteinase, putative	0.0167	0.965	1
Echinococcus granulosus	cathepsin b	0.0172	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.5738	0.5946
Leishmania major	cathepsin L-like protease	0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.965	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0051	0.1226	0.1226
Onchocerca volvulus		0.0167	0.965	1
Entamoeba histolytica	cysteine proteinase, putative	0.0088	0.3912	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0088	0.3912	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0113	0.5738	0.5738
Leishmania major	cathepsin L-like protease	0.0167	0.965	1
Onchocerca volvulus		0.0167	0.965	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.5738	0.5946
Giardia lamblia	Cathepsin B precursor	0.0077	0.3093	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0167	0.965	0.965
Leishmania major	cathepsin L-like protease	0.0167	0.965	1
Onchocerca volvulus	Cathepsin L homolog	0.0167	0.965	1
Leishmania major	cathepsin L-like protease	0.0167	0.965	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 984 nM	Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr	ChEMBL.	16005222
EC50 (functional)	= 984 nM	Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr	ChEMBL.	16005222
Potentiation (functional)	= 29 %	Percentage of maximal glutamate (1 mM) response of human metabotropic glutamate receptor 2 done at 30 degree C for 1 hr	ChEMBL.	16005222
Potentiation (functional)	= 29 %	Percentage of maximal glutamate (1 mM) response of human metabotropic glutamate receptor 2 done at 30 degree C for 1 hr	ChEMBL.	16005222

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

ChEMBL: CHEMBL188286
PubChem: 11950553

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.

Detailed information for compound 330223