3D structures mapped by conservation among orthologs

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

 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
CHEMBL3954641		IC50	=	0.9	nM	513.97	Cc1nnc(C[C@@]23CC(F)(F)[C@@H](C)[C@H](/C=C/c4ccc(-c5ccccc5Cl)cn4)C2[C@@H](C)OC3=O)o1	Homo sapiens	CHEMBL3888452	assay format
CHEMBL4111522		IC50	=	0.9	nM	521.59	CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(C(O)c2cscn2)CC1(F)F	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3942006		IC50	=	1.0	nM	513.98	C[C@H]1OC(=O)[C@]2(Cc3nnnn3C)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4Cl)cn3)C12	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3966338		IC50	=	1.2	nM	451.52	Cc1cccc(-c2ccc(/C=C/[C@@H]3C4[C@@H](C)OC(=O)[C@]4(CN)CC(F)(F)[C@H]3C)nc2)c1C#N	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3931589		IC50	=	1.2	nM	499.95	C[C@H]1OC(=O)[C@]2(Cc3ncon3)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4Cl)cn3)C12	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3897109		IC50	=	1.3	nM	520.61	C[C@H]1OC(=O)[C@]2(NCc3cncs3)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@H]12	Homo sapiens	CHEMBL3888452	assay format
CHEMBL4106770		IC50	=	1.4	nM	489.53	Cc1cn([C@@]23CC(F)(F)C(C)[C@H](/C=C/c4ccc(-c5ccccc5C#N)cn4)C2[C@@H](C)OC3=O)nn1	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3933019		IC50	=	1.5	nM	407.46	C[C@H]1NC(=O)C2CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)C21	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3968240		IC50	=	1.6	nM	520.61	C[C@H]1OC(=O)[C@]2(NCc3cscn3)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@H]12	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3937747		IC50	=	1.6	nM	408.45	C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)C21	Homo sapiens	CHEMBL3888452	assay format
CHEMBL4113548		IC50	=	1.7	nM	545.56	C[C@@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@H]2[C@@H](C)OC(=O)[C@]2(NC(=O)c2ccc(F)cc2)CC1(F)F	Homo sapiens	CHEMBL3888452	assay format
CHEMBL4110608		IC50	=	1.9	nM	505.52	CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(C(O)c2cocn2)CC1(F)F	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3897962		IC50	=	2.0	nM	424.45	C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)C12	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3930471		IC50	=	2.1	nM	513.98	C[C@H]1OC(=O)[C@]2(Cc3nnn(C)n3)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4Cl)cn3)C12	Homo sapiens	CHEMBL3888452	assay format
CHEMBL4111197		IC50	=	2.2	nM	520.61	CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(NCc2nccs2)CC1(F)F	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3927578		IC50	=	2.3	nM	437.49	C[C@H]1OC(=O)[C@]2(CN)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)C12	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3932907		IC50	=	2.3	nM	527.57	C[C@H]1OC(=O)[C@]2(NC(=O)c3ccccc3)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@H]12	Homo sapiens	CHEMBL3888452	assay format
CHEMBL4109959		IC50	=	2.4	nM	504.54	CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(NCc2cocn2)CC1(F)F	Homo sapiens	CHEMBL3888452	assay format
CHEMBL3985342		IC50	=	2.5	nM	438.47	CO[C@@]12CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@@H]1[C@@H](C)OC2=O	Homo sapiens	CHEMBL3888452	assay format
CHEMBL4113709		IC50	=	2.5	nM	521.59	CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(C(O)c2nccs2)CC1(F)F	Homo sapiens	CHEMBL3888452	assay format