3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

 PyMOL session

[ Domain: "Cytochromes" // Cytochrom_B562_1 ]

 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
CHEMBL1939740		IC50	=	0.068	nM	525.7	CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(Cc3ccccn3)CC2)cc1	Homo sapiens	CHEMBL1943908	cell-based format
CHEMBL1939746		IC50	=	0.071	nM	535.71	CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(CC)CC)cc2)N2CCN(Cc3cscn3)CC2)c1	Homo sapiens	CHEMBL1943908	cell-based format
CHEMBL1946023		IC50	=	0.082	nM	529.66	CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2cccc(NC(=O)OC)c2)cc1	Homo sapiens	CHEMBL1947328	cell-based format
CHEMBL1939751		IC50	=	0.094	nM	507.66	CCN(C)C(=O)c1ccc([C@H](c2cccc(NC(=O)OC)c2)N2CCN(Cc3cscn3)CC2)cc1	Homo sapiens	CHEMBL1943908	cell-based format
CHEMBL80463		IC50	=	0.13	nM	472.59	Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1	Homo sapiens	CHEMBL750413	single protein format
CHEMBL1946025		IC50	=	0.16	nM	496.68	CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1	Homo sapiens	CHEMBL1947328	cell-based format
CHEMBL310842		IC50	=	0.17	nM	452.6	Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C	Homo sapiens	CHEMBL750413	single protein format
CHEMBL1946029		IC50	=	0.17	nM	468.63	CN(C)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1	Homo sapiens	CHEMBL1947328	cell-based format
CHEMBL1946026		IC50	=	0.2	nM	494.66	O=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCCC1	Homo sapiens	CHEMBL1947328	cell-based format
CHEMBL1946016		IC50	=	0.2	nM	457.59	CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2ccccn2)cc1	Homo sapiens	CHEMBL1947328	cell-based format
CHEMBL421520		IC50	=	0.22	nM	468.67	Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C/N=C(/S)NC(C)(C)C	Homo sapiens	CHEMBL750413	single protein format
CHEMBL1946020		IC50	=	0.22	nM	513.66	CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2cccc(NC(C)=O)c2)cc1	Homo sapiens	CHEMBL1947328	cell-based format
CHEMBL25230		IC50	=	0.23	nM	435.61	C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C	Homo sapiens	CHEMBL750410	single protein format
CHEMBL309307		IC50	=	0.24	nM	457.57	Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1ccccc1	Homo sapiens	CHEMBL750413	single protein format
CHEMBL1946021		IC50	=	0.25	nM	513.66	CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2ccc(NC(C)=O)cc2)cc1	Homo sapiens	CHEMBL1947328	cell-based format
CHEMBL1944652		IC50	=	0.26	nM	507.65	CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2cccc3cccnc23)cc1	Homo sapiens	CHEMBL1947328	cell-based format
CHEMBL1939749		IC50	=	0.26	nM	518.66	CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(C)CC)cc2)N2CCN(Cc3nc[nH]c3C)CC2)c1	Homo sapiens	CHEMBL1943908	cell-based format
CHEMBL1939738		IC50	=	0.27	nM	544.67	CN(CCO)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(Cc3ccc(F)cc3)CC2)cc1	Homo sapiens	CHEMBL1943908	cell-based format
CHEMBL1946027		IC50	=	0.27	nM	482.65	CCN(C)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1	Homo sapiens	CHEMBL1947328	cell-based format
CHEMBL75802		IC50	=	0.27	nM	488.66	Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C/N=C(/S)Nc1ccccc1	Homo sapiens	CHEMBL750413	single protein format