3D structures mapped by conservation among orthologs

[ Domain: "Indolic compounds 2,3-dioxygenase-like" // DUF1864_C ]

 PyMOL session

[ Domain: "Indoleamine 2,3-dioxygenase N-terminal subdomain" // IDO ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV    Ki 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
CHEMBL432537		IC50	=	0.018	nM	293.24	O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1ccccc1c2=O	Homo sapiens	CHEMBL3089095	cell-based format
CHEMBL3745883		IC50	=	0.5	nM	454.57	Cc1cc(NC(=O)Nc2cc([C@H]3C[C@H]3C(=O)O)ccc2N(CC(C)C)C2CCCCC2)on1	Homo sapiens	CHEMBL3748076	cell-based format
CHEMBL4297598		IC50	=	0.5	nM	410.92	C[C@@H](C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1	Homo sapiens	CHEMBL5110227	single protein format
CHEMBL4851825		IC50	<	0.51	nM	475.59	Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC(=O)CC4)c4c3C[C@H]3C[C@@H]43)CC2)c1C	Homo sapiens	CHEMBL4834032	tissue-based format
CHEMBL4851857		IC50	<	0.51	nM	521.66	Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC(OCCO)CC4)c4c3C[C@H]3C[C@@H]43)CC2)c1C	Homo sapiens	CHEMBL4834032	tissue-based format
CHEMBL4862164		IC50	<	0.51	nM	503.65	Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC5(CO)CC4C5)c4c3C[C@H]3C[C@@H]43)CC2)c1C	Homo sapiens	CHEMBL4834032	tissue-based format
CHEMBL4873747		IC50	=	0.52	nM	455.86	Fc1cc2ncn([C@H]3C[C@@H]4[C@@H](CNC(c5ccc(Cl)cc5)C(F)(F)F)[C@@H]4C3)c2cc1F	Homo sapiens	CHEMBL4843237	cell-based format
CHEMBL4861457		IC50	=	0.59	nM	581.16	CC(=O)NC1CCN(C(=O)c2nn(CC(=O)N3CCN(c4cccc(C)c4Cl)CC3)c3c2C2CCCCC2C3)CC1	Homo sapiens	CHEMBL4834032	tissue-based format
CHEMBL4879235		IC50	=	0.59	nM	495.6	Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CC[C@@H](O)[C@H](F)C4)c4c3C[C@H]3C[C@@H]43)CC2)c1C	Homo sapiens	CHEMBL4834032	tissue-based format
CHEMBL4642946		IC50	=	0.6	nM	403.31	C[C@H](C(=O)Nc1ccc(Cl)cc1)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2	Homo sapiens	CHEMBL4622406	cell-based format
CHEMBL4856710		IC50	=	0.6	nM	408.9	CC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](c3ccnc4ccc(F)cc34)C[C@@H]21	Homo sapiens	CHEMBL4843237	cell-based format
CHEMBL4867998		IC50	=	0.64	nM	551.66	Cc1c(F)ccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC(O)C(CO)C4)c4c3C[C@H]3C[C@@H]43)C3(CC3)C2)c1C	Homo sapiens	CHEMBL4834032	tissue-based format
CHEMBL4858888		IC50	=	0.69	nM	415.87	CC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)c(F)cc43)C[C@@H]21	Homo sapiens	CHEMBL4843237	cell-based format
CHEMBL4862659		IC50	=	0.6928	nM	422.92	O=C(OC1CC1)N1CCCc2nc(C3(c4nc5ccc(Cl)cc5[nH]4)CCC3)ccc21	Homo sapiens	CHEMBL4828620	tissue-based format
CHEMBL4764710		IC50	=	0.8	nM	397.45	C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC1CCC1	Homo sapiens	CHEMBL4689679	tissue-based format
CHEMBL4849690		IC50	=	0.92	nM	419.93	CCC(c1nc2cc(Cl)ccc2[nH]1)[C@H]1[C@@H]2C[C@@H](c3ccnc4ccc(F)cc34)C[C@@H]21	Homo sapiens	CHEMBL4843237	cell-based format
CHEMBL4848644		IC50	=	0.9583	nM	511.94	O=C(c1ccccc1Cl)N1CCCc2nc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)ccc21	Homo sapiens	CHEMBL4828620	tissue-based format
CHEMBL4865877		IC50	=	0.9819	nM	396.88	C[C@@H](c1ccc2c(n1)CCCN2C(=O)OC1CC1)c1nc2ccc(Cl)cc2[nH]1	Homo sapiens	CHEMBL4828620	tissue-based format
CHEMBL4855797		IC50	=	1.0	nM	442.96	C[C@@H](C(=O)Nc1ccc(F)cc1)C1CCC2C(CCCN2C(=O)c2cccc(Cl)c2)C1	Homo sapiens	CHEMBL4810784	cell-based format
CHEMBL4746602		IC50	=	1.0	nM	370.37	O=C1c2nnn(Cc3ccccc3)c2C(=O)c2nnn(Cc3ccccc3)c21	Homo sapiens	CHEMBL4734675	single protein format