3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1 ]

 PyMOL session

[ 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
CHEMBL277004		IC50	=	0.0001	nM	504.43	O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(CO)nc2ccccc2c1-c1ccccc1	Homo sapiens	CHEMBL812542	cell-based format
CHEMBL24135		IC50	=	0.0017	nM	503.45	NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	Homo sapiens	CHEMBL812542	cell-based format
CHEMBL281797		IC50	=	0.01	nM	567.33	O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(CBr)nc2ccccc2c1-c1ccccc1	Homo sapiens	CHEMBL812542	cell-based format
CHEMBL26761		IC50	=	0.011	nM	517.47	CNCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	Homo sapiens	CHEMBL812542	cell-based format
CHEMBL3215877		IC50	=	0.012	nM	453.33	COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl	Homo sapiens	CHEMBL1918309	cell-based format
CHEMBL1092755		IC50	=	0.013	nM	487.42	C[C@@H](O[C@H]1CN2C(=O)C=CCC2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	Homo sapiens	CHEMBL1110594	cell-based format
CHEMBL1951813		IC50	=	0.017	nM	561.5	Cc1cc(F)ccc1[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C(=O)N(C)[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	Homo sapiens	CHEMBL1954993	cell-based format
CHEMBL1951810		IC50	=	0.02	nM	547.47	Cc1cc(F)ccc1[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	Homo sapiens	CHEMBL1954993	cell-based format
CHEMBL1917866		IC50	=	0.025	nM	596.05	COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)CCCNC(C)=O)C[C@H]1c1ccccc1.Cl	Homo sapiens	CHEMBL1918309	cell-based format
CHEMBL3651891		IC50	=	0.029	nM	549.47	CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(Cl)cc(Cl)c3)[C@H](c3ccc(F)cc3)C2)CC1	Homo sapiens	CHEMBL3705166	single protein format
CHEMBL413027		IC50	=	0.03	nM	488.43	CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc2ccccc2c1-c1ccccc1	Homo sapiens	CHEMBL812542	cell-based format
CHEMBL1951633		IC50	=	0.035	nM	519.46	Cc1cc(F)ccc1[C@H]1CN(C(N)=O)CC[C@@H]1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	Homo sapiens	CHEMBL1954993	cell-based format
CHEMBL1917853		IC50	=	0.039	nM	539.99	CCNC(=O)N1CC[C@H](NCc2cc(-n3nnnc3C(F)(F)F)ccc2OC)[C@H](c2ccccc2)C1.Cl	Homo sapiens	CHEMBL1918309	cell-based format
CHEMBL3651895		IC50	=	0.039	nM	590.54	CN(C(=O)N(C)[C@@H]1CN(C(=O)NC2CCOCC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	Homo sapiens	CHEMBL3705166	single protein format
CHEMBL555572		IC50	=	0.04	nM	437.38	COc1ccc(-n2cnnn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl	Homo sapiens	CHEMBL2447076	single protein format
CHEMBL1951631		IC50	=	0.043	nM	575.53	CC(=O)NCC(=O)N1CC[C@H](C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1	Homo sapiens	CHEMBL1954993	cell-based format
CHEMBL1917856		IC50	=	0.044	nM	566.03	CCNC(=O)N1CC[C@H](NCc2cc(-n3nnnc3C(F)(F)F)ccc2OC2CC2)[C@H](c2ccccc2)C1.Cl	Homo sapiens	CHEMBL1918309	cell-based format
CHEMBL1951811		IC50	=	0.046	nM	563.47	Cc1cc(F)ccc1[C@H]1CN(C(=O)C(=O)NO)CC[C@@H]1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	Homo sapiens	CHEMBL1954993	cell-based format
CHEMBL1951632		IC50	=	0.048	nM	533.49	CNC(=O)N1CC[C@H](C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1	Homo sapiens	CHEMBL1954993	cell-based format
CHEMBL1917852		IC50	=	0.049	nM	510.95	COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(C)=O)C[C@H]1c1ccccc1.Cl	Homo sapiens	CHEMBL1918309	cell-based format