3D structures mapped by conservation among orthologs

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

 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
CHEMBL325581		IC50	=	0.14	nM	585.09	CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1)S(=O)(=O)CCCCl	Homo sapiens	CHEMBL677449	cell-based format
CHEMBL111277		IC50	=	0.28	nM	578.7	CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1	Homo sapiens	CHEMBL677449	cell-based format
CHEMBL323464		IC50	=	0.47	nM	564.68	CCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1	Homo sapiens	CHEMBL677449	cell-based format
CHEMBL109644		IC50	=	0.48	nM	592.73	CCCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1	Homo sapiens	CHEMBL677449	cell-based format
CHEMBL333972		IC50	=	0.8	nM	548.61	CCc1cc(F)cc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1	Homo sapiens	CHEMBL670478	single protein format
CHEMBL331625		IC50	=	1.1	nM	574.67	CCc1cccc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OCCOC)cc1	Homo sapiens	CHEMBL670478	single protein format
CHEMBL435385		IC50	=	1.2	nM	544.65	CCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1	Homo sapiens	CHEMBL670478	single protein format
CHEMBL72410		IC50	=	1.3	nM	573.69	Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1	Homo sapiens	CHEMBL4431780	cell-based format
CHEMBL339657		IC50	=	1.4	nM	530.62	CCc1cccc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1	Homo sapiens	CHEMBL670478	single protein format
CHEMBL420729		IC50	=	1.5	nM	558.68	CCc1cc(CC)c(NC(=O)CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)[C@@H]2c2ccc(OC)cc2)c(CC)c1	Homo sapiens	CHEMBL670478	single protein format
CHEMBL4435789		IC50	=	3.5	nM	469.52	Cc1ccc(=O)n([C@@H](C(=O)NS(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)n1	Homo sapiens	CHEMBL4426324	cell-based format
CHEMBL433700		IC50	=	3.6	nM	576.63	CCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(=O)O)c(=O)n(Cc3ccccc3OC)c12)S(C)(=O)=O	Homo sapiens	CHEMBL673047	cell membrane format
CHEMBL331066		IC50	=	3.8	nM	558.68	CCc1cccc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(CCOC)cc1	Homo sapiens	CHEMBL670478	single protein format
CHEMBL307936		IC50	=	4.0	nM	585.77	CSCCC(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)O	Homo sapiens	CHEMBL677447	cell-based format
CHEMBL421073		IC50	=	4.0	nM	516.59	CCc1cccc(C)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1	Homo sapiens	CHEMBL670478	single protein format
CHEMBL8978		IC50	=	4.4	nM	539.61	CCCc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2	Homo sapiens	CHEMBL677268	single protein format
CHEMBL306123		IC50	=	5.0	nM	580.73	CCCCC(NC(=O)[C@@H](Cc1c(C#N)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@H](C)CCC[C@@H]1C)C(C)C)C(=O)O	Homo sapiens	CHEMBL677447	cell-based format
CHEMBL286621		IC50	=	5.6	nM	520.58	COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(CC(O)CO)c1	Homo sapiens	CHEMBL670651	single protein format
CHEMBL332387		IC50	=	5.8	nM	532.59	CCc1cccc(OC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1	Homo sapiens	CHEMBL670478	single protein format
CHEMBL333009		IC50	=	6.9	nM	558.68	CCc1cccc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC(C)C)cc1	Homo sapiens	CHEMBL670478	single protein format