3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_3 ]

 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
CHEMBL1160723		IC50	=	0.05	nM	211.26	CC(C)NC[C@H](O)c1ccc(O)c(O)c1	Homo sapiens	CHEMBL3887982	cell-based format
CHEMBL388570		IC50	=	0.14	nM	303.36	C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1	Homo sapiens	CHEMBL3887982	cell-based format
CHEMBL228992		IC50	=	0.17	nM	317.39	COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1	Homo sapiens	CHEMBL3887982	cell-based format
CHEMBL723		IC50	=	0.241	nM	406.48	COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12	Homo sapiens	CHEMBL1909092	cell membrane format
CHEMBL499		IC50	=	0.292	nM	316.43	CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1	Homo sapiens	CHEMBL1909092	cell membrane format
CHEMBL452861		IC50	=	0.355	nM	259.35	CC(C)NC[C@H](O)COc1cccc2ccccc12	Homo sapiens	CHEMBL1909092	cell membrane format
CHEMBL500		IC50	=	0.549	nM	248.33	CC(C)NCC(O)COc1cccc2[nH]ccc12	Homo sapiens	CHEMBL1909092	cell membrane format
CHEMBL198059		IC50	=	0.74	nM	277.41	Cc1ccc(OC[C@H](O)[C@H](C)NC(C)C)c2c1CCC2	Homo sapiens	CHEMBL3876342	cell-based format
CHEMBL1201237		IC50	=	0.793	nM	291.39	CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O	Homo sapiens	CHEMBL1909092	cell membrane format
CHEMBL487508		IC50	=	1.0	nM	398.33	COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1	Homo sapiens	CHEMBL952690	single protein format
CHEMBL4465173		IC50	<	1.0	nM	344.25	Clc1ccc(CNCc2ccc(-c3ncccn3)cc2)cc1Cl	Homo sapiens	CHEMBL4381024	single protein format
CHEMBL27		IC50	=	1.116	nM	259.35	CC(C)NCC(O)COc1cccc2ccccc12	Homo sapiens	CHEMBL1909092	cell membrane format
CHEMBL229614		IC50	=	1.19	nM	337.42	C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1	Homo sapiens	CHEMBL3887982	cell-based format
CHEMBL486278		IC50	=	1.3	nM	385.46	COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1	Homo sapiens	CHEMBL952690	single protein format
CHEMBL4285281		IC50	=	1.4	nM	297.35	COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2	Homo sapiens	CHEMBL4258826	single protein format
CHEMBL1800936		IC50	=	1.44	nM	317.39	CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1	Homo sapiens	CHEMBL3887982	cell-based format
CHEMBL229401		IC50	=	1.57	nM	337.42	C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1	Homo sapiens	CHEMBL3887982	cell-based format
CHEMBL117405		IC50	=	1.571	nM	248.33	CC(C)NC[C@H](O)COc1cccc2[nH]ccc12	Homo sapiens	CHEMBL1909092	cell membrane format
CHEMBL1800961		IC50	=	1.91	nM	337.42	C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1	Homo sapiens	CHEMBL3887982	cell-based format
CHEMBL228996		IC50	=	2.01	nM	317.39	COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1	Homo sapiens	CHEMBL3887982	cell-based format