3D structures mapped by conservation among orthologs

[ Domain: "Double-stranded beta-helix" // JmjC ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV

Only the first 20 rows are shown.

molecule_chembl_id	structure	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL1398171		IC50	=	-160000.0	nM	289.34	Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccccc1	Homo sapiens	CHEMBL4844860	assay format
CHEMBL2169917		IC50	=	110.0	nM	347.37	O=C(O)c1ccnc(-c2cc(C(=O)NCCc3ccccc3)ccn2)c1	Homo sapiens	CHEMBL2173245	single protein format
CHEMBL3786952		IC50	=	160.0	nM	343.77	Cc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1	Homo sapiens	CHEMBL4223302	single protein format
CHEMBL1615036		IC50	=	180.0	nM	286.29	NCCNC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1	Homo sapiens	CHEMBL2173245	single protein format
CHEMBL2164246		IC50	=	200.0	nM	132.12	NNC(=O)CCC(=O)O	Homo sapiens	CHEMBL2167519	assay format
CHEMBL1982368		IC50	=	290.0	nM	308.77	Clc1ccc(N/N=C(\c2ccccc2)c2ccccn2)nc1	Homo sapiens	CHEMBL5141160	single protein format
CHEMBL1230640		IC50	=	300.0	nM	189.17	O=C(O)c1ccc(O)c2ncccc12	Homo sapiens	CHEMBL3112253	single protein format
CHEMBL316034		IC50	=	300.0	nM	167.12	O=C(O)c1ccnc(C(=O)O)c1	Homo sapiens	CHEMBL5364261	single protein format
CHEMBL51979		IC50	=	400.0	nM	133.1	O=C(O)CCC(=O)NO	Homo sapiens	CHEMBL2167519	assay format
CHEMBL3108958		IC50	=	420.0	nM	488.42	N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(-c3cc(C(=O)O)ccn3)c2)cc1.O=C(O)C(F)(F)F	Homo sapiens	CHEMBL3112253	single protein format
CHEMBL1933775		IC50	=	900.0	nM	290.33	Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1-c1ccccc1	Homo sapiens	CHEMBL4844860	assay format
CHEMBL1398529		IC50	=	920.0	nM	349.43	CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1	Homo sapiens	CHEMBL5141164	single protein format
CHEMBL5429223		IC50	=	990.0	nM	286.29	CC(Nc1c(C(=O)O)ccnc1C(=O)O)c1ccccc1	Homo sapiens	CHEMBL5364259	single protein format