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
CHEMBL1354199		IC50	=	0.446	nM	398.3	C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.[Br-]	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL76897		IC50	=	0.83	nM	451.35	C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[I-]	Homo sapiens	CHEMBL947361	single protein format
CHEMBL517712		IC50	=	0.922	nM	289.38	CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL284237		IC50	=	2.0	nM	221.3	C[C@]12N[C@H](Cc3ccccc31)c1ccccc12	Homo sapiens	CHEMBL857680	single protein format
CHEMBL1201203		IC50	=	2.019	nM	307.44	CN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL376897		IC50	=	2.3	nM	318.39	C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	Homo sapiens	CHEMBL873439	cell-based format
CHEMBL1123		IC50	=	2.382	nM	309.49	CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL1231		IC50	=	3.222	nM	357.49	CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL516		IC50	=	3.835	nM	287.41	CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL643		IC50	=	4.603	nM	284.43	CC(CN1c2ccccc2Sc2ccccc21)N(C)C	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL629		IC50	=	8.02	nM	277.41	CN(C)CCC=C1c2ccccc2CCc2ccccc21	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL1626		IC50	=	8.373	nM	343.9	CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL479		IC50	=	9.246	nM	370.59	CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL334255		IC50	=	10.0	nM	384.45	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL1092		IC50	=	10.3	nM	337.94	Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1	Homo sapiens	CHEMBL748448	cell-based format
CHEMBL1490		IC50	=	12.0	nM	301.47	OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL42		IC50	=	13.0	nM	326.83	CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1	Homo sapiens	CHEMBL1909174	cell membrane format
CHEMBL5270452		IC50	=	21.0	nM	429.52	O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1	Homo sapiens	CHEMBL5237935	cell-based format
CHEMBL120119		IC50	=	24.8	nM	439.51	CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1.O=C(O)C(=O)O	Homo sapiens	CHEMBL747701	cell-based format
CHEMBL1180285		IC50	=	24.8	nM	349.47	CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1	Homo sapiens	CHEMBL2317629	cell-based format