3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_2 ]

 PyMOL session

[ Domain: "Lysozyme-like" // Phage_lysozyme_2 ]

 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
CHEMBL1626		IC50	=	0.421	nM	343.9	CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1	Homo sapiens	CHEMBL1909156	cell membrane format
CHEMBL1628227		IC50	=	0.57	nM	279.38	CN(C)CCC=C1c2ccccc2COc2ccccc21	Homo sapiens	CHEMBL1909156	cell membrane format
CHEMBL3609328		IC50	=	1.0	nM	328.37	CN1CCN(C2=Nc3cc(F)ccc3Nc3ccc(F)cc32)CC1	Homo sapiens	CHEMBL3610942	single protein format
CHEMBL1633		IC50	=	1.0	nM	425.51	CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O	Homo sapiens	CHEMBL1059633	cell-based format
CHEMBL534		IC50	=	1.0	nM	309.43	CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1	Homo sapiens	CHEMBL1775250	cell-based format
CHEMBL511		IC50	=	1.3	nM	285.39	COc1ccc(CN(CCN(C)C)c2ccccn2)cc1	Homo sapiens	CHEMBL881989	single protein format
CHEMBL6437		IC50	=	1.506	nM	264.37	CN1CCN2c3ccccc3Cc3ccccc3C2C1	Homo sapiens	CHEMBL1909156	cell membrane format
CHEMBL4128926		IC50	=	1.7	nM	583.78	CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12	Homo sapiens	CHEMBL4121482	single protein format
CHEMBL643		IC50	=	2.871	nM	284.43	CC(CN1c2ccccc2Sc2ccccc21)N(C)C	Homo sapiens	CHEMBL1909156	cell membrane format
CHEMBL4446961		IC50	=	2.95	nM	491.03	COc1ccccc1OCC(O)CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1	Homo sapiens	CHEMBL4410552	single protein format
CHEMBL1201203		IC50	=	3.183	nM	307.44	CN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2	Homo sapiens	CHEMBL1909156	cell membrane format
CHEMBL564446		IC50	=	3.3	nM	422.55	CN(C1CCOCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1	Homo sapiens	CHEMBL1060927	cell-based format
CHEMBL564		IC50	=	3.435	nM	284.43	CN(C)CCCN1c2ccccc2Sc2ccccc21	Homo sapiens	CHEMBL1909156	cell membrane format
CHEMBL194837		IC50	=	3.5	nM	448.35	Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12	Homo sapiens	CHEMBL881890	single protein format
CHEMBL4591702		IC50	=	3.67	nM	491.03	COc1ccccc1OC[C@H](O)CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1	Homo sapiens	CHEMBL4410552	single protein format
CHEMBL516		IC50	=	3.7	nM	287.41	CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1	Homo sapiens	CHEMBL1909156	cell membrane format
CHEMBL91397		IC50	=	3.9	nM	415.97	Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1	Homo sapiens	CHEMBL882906	single protein format
CHEMBL549598		IC50	=	4.4	nM	434.6	CN(CC1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1	Homo sapiens	CHEMBL1060927	cell-based format
CHEMBL4467816		IC50	=	4.56	nM	491.03	COc1ccccc1OC[C@@H](O)CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1	Homo sapiens	CHEMBL4410552	single protein format
CHEMBL4556553		IC50	=	4.74	nM	479.0	OC(COc1ccccc1F)CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1	Homo sapiens	CHEMBL4410552	single protein format