3D structures mapped by conservation among orthologs

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

 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
CHEMBL3648359		IC50	=	0.049	nM	272.35	CCC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL3648361		IC50	=	0.091	nM	376.5	CC(=O)NCCC1CCc2ccc3nc(CCCCc4ccccc4)oc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL3648363		IC50	=	0.12	nM	274.39	CC(=O)NCC[C@@H]1CCc2ccc3nc(C)sc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL3648356		IC50	=	0.13	nM	258.32	CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL3648369		IC50	=	0.14	nM	312.29	Cc1nc2ccc3c(c2o1)C(CCNC(=O)C(F)(F)F)CC3	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL4115681		IC50	=	0.22	nM	272.37	CC(=O)NC/C=C1\CCc2ccc3nc(C)sc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL4114700		IC50	=	0.22	nM	270.33	CCC(=O)NC/C=C1\CCc2ccc3nc(C)oc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL3648350		IC50	=	0.24	nM	256.31	CC(=O)NCCC1=CCc2ccc3nc(C)oc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL3648358		IC50	=	0.28	nM	272.35	CCC(=O)NCCC1CCc2ccc3nc(C)oc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL3648362		IC50	=	0.28	nM	274.39	CC(=O)NCCC1CCc2ccc3nc(C)sc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL3648367		IC50	=	0.28	nM	274.32	COc1nc2ccc3c(c2o1)C(CCNC(C)=O)CC3	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL45		IC50	=	0.3	nM	232.28	COc1ccc2[nH]cc(CCNC(C)=O)c2c1	Homo sapiens	CHEMBL710591	single protein format
CHEMBL3648354		IC50	=	0.31	nM	244.29	CC(=O)NCCC1CCc2ccc3ncoc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL3648355		IC50	=	0.31	nM	258.32	CC(=O)NCCC1CCc2ccc3nc(C)oc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL4114658		IC50	=	0.37	nM	256.31	CC(=O)NC/C=C1\CCc2ccc3nc(C)oc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL3648365		IC50	=	0.41	nM	272.35	CCc1nc2ccc3c(c2o1)C(CCNC(C)=O)CC3	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL4114715		IC50	=	0.43	nM	374.48	CC(=O)NC/C=C1\CCc2ccc3nc(CCCCc4ccccc4)oc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL323332		IC50	=	0.7	nM	233.27	COc1ccc2occ(CCNC(C)=O)c2c1	Homo sapiens	CHEMBL973056	cell-based format
CHEMBL3648366		IC50	=	0.75	nM	284.36	CC(=O)NCCC1CCc2ccc3nc(C4CC4)oc3c21	Homo sapiens	CHEMBL3707729	single protein format
CHEMBL3648368		IC50	=	0.77	nM	284.36	Cc1nc2ccc3c(c2o1)C(CCNC(=O)C1CC1)CC3	Homo sapiens	CHEMBL3707729	single protein format