3D structures mapped by conservation among orthologs

[ Domain: "Emopamil binding protein (EBP) transmembrane domain" // UNK_F_TYPE ]

 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
CHEMBL5285995		IC50	=	2.95	nM	372.53	Cc1cc(C)c(S(=O)(=O)N2CCC(NCc3ccccc3)CC2)c(C)c1	Homo sapiens	CHEMBL5226845	single protein format
CHEMBL4454956		IC50	=	9.36	nM	364.56	Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCCCCC3)CC2)c(C)c1	Homo sapiens	CHEMBL5226845	single protein format
CHEMBL5281526		IC50	=	49.0	nM	412.6	Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4CCC(C)CC4)CC3)cc2)cc1	Homo sapiens	CHEMBL5226845	single protein format
CHEMBL5409750		IC50	<	50.0	nM	416.49	O=S(=O)(c1ccc(OC(F)F)cc1)N1C2CCC1CC(NC1CCOCC1)C2	Homo sapiens	CHEMBL5374111	cell-based format
CHEMBL5402647		IC50	<	50.0	nM	368.5	Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](CN2CCOCC2)C3)n(C)n1	Homo sapiens	CHEMBL5374111	cell-based format
CHEMBL5441005		IC50	<	50.0	nM	428.5	CC12CC(NC3CC4CCC(C3)N4S(=O)(=O)c3ccc(OC(F)F)cc3)(CO1)C2	Homo sapiens	CHEMBL5374111	cell-based format
CHEMBL5402517		IC50	<	50.0	nM	414.52	CC1CCN([C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccc(OC(F)F)cc2)CC1	Homo sapiens	CHEMBL5374111	cell-based format
CHEMBL5424681		IC50	<	50.0	nM	446.52	O=S(=O)(c1ccc(OC(F)F)cc1)N1[C@@H]2CC[C@H]1C[C@@H](NCC1(O)CCOCC1)C2	Homo sapiens	CHEMBL5374111	cell-based format
CHEMBL5439880		IC50	<	50.0	nM	430.52	O=S(=O)(c1ccc(OC(F)F)cc1)N1C2CCC1CC(NCC1CCOCC1)C2	Homo sapiens	CHEMBL5374111	cell-based format
CHEMBL4544901		IC50	=	97.3	nM	364.56	Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c(C)c1	Homo sapiens	CHEMBL5226845	single protein format
CHEMBL5396964		IC50	<	100.0	nM	431.48	O=S(=O)(c1ccc(C(F)(F)F)nc1C1CC1)N1CC2(CN(C3CCOCC3)C2)C1	Homo sapiens	CHEMBL5360111	cell-based format
CHEMBL5399375		IC50	<	100.0	nM	434.56	O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC2(CCC(N3CC4(COC4)C3)C2)CC1	Homo sapiens	CHEMBL5375574	cell-based format
CHEMBL5410128		IC50	<	100.0	nM	434.48	O=S(=O)(c1coc(C(F)(F)F)c1)N1CCC2(CCC(N3CC4(COC4)C3)C2)CC1	Homo sapiens	CHEMBL5375574	cell-based format
CHEMBL5401696		IC50	<	100.0	nM	413.52	COc1nccc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)c1F	Homo sapiens	CHEMBL5375574	cell-based format
CHEMBL5414439		IC50	<	100.0	nM	394.51	O=S(=O)(c1ccc(F)cc1)N1CCC2(CCC(N3CC4(COC4)C3)C2)CC1	Homo sapiens	CHEMBL5375574	cell-based format
CHEMBL5426117		IC50	<	100.0	nM	490.55	Cc1nc(C(F)(F)F)ncc1S(=O)(=O)N1CCC2(CC1)CC(N(C)C1CC3(COC3)C1)CO2	Homo sapiens	CHEMBL5375574	cell-based format
CHEMBL5409418		IC50	<	100.0	nM	368.5	CC(C)c1cc(S(=O)(=O)N2CC3(CN(C4CCOCC4)C3)C2)n(C)n1	Homo sapiens	CHEMBL5360111	cell-based format
CHEMBL5439736		IC50	<	100.0	nM	419.47	Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CC2(CN(C(C)C3CCCO3)C2)C1	Homo sapiens	CHEMBL5360111	cell-based format
CHEMBL5397717		IC50	<	100.0	nM	420.46	Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC2(CN(CC3CC4(COC4)C3)C2)C1	Homo sapiens	CHEMBL5360111	cell-based format
CHEMBL5417025		IC50	<	100.0	nM	436.5	Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC2(CCN(C3CCOCC3)C2)CC1	Homo sapiens	CHEMBL5360111	cell-based format