3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

 PyMOL session

[ Domain: "Snake toxin-like" // Activin_recp ]

 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
CHEMBL4852453		IC50	=	0.32	nM	448.57	Cc1ccccc1-c1cc(Nc2ccnc3cc(-c4cnn(CCN(C)C)c4)ccc23)ccn1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4858177		IC50	=	0.34	nM	448.57	Cc1cccc(-c2cc(Nc3ccnc4cc(-c5cnn(CCN(C)C)c5)ccc34)ccn2)c1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4877947		IC50	=	0.35	nM	434.55	CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccccc5)c4)ccnc3c2)cn1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4846578		IC50	=	0.51	nM	424.51	CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccoc5)c4)ccnc3c2)cn1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4872884		IC50	=	0.54	nM	441.51	CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccoc5)c4)ccnc3c2)cc1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4217699		IC50	=	0.55	nM	374.3	Fc1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nc2[nH]ccc12	Homo sapiens	CHEMBL4188411	cell-based format
CHEMBL1835530		IC50	=	0.57	nM	441.52	COc1ccc(NC(=S)n2cc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)n2)cc1	Homo sapiens	CHEMBL1837692	cell-based format
CHEMBL4861887		IC50	=	0.62	nM	487.53	CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cc1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4872045		IC50	=	0.63	nM	452.54	CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5cccc(F)c5)c4)ccnc3c2)cn1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4874893		IC50	=	0.65	nM	465.58	Cc1ccccc1-c1cc(Nc2ccnc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc23)ccn1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4867170		IC50	=	0.67	nM	469.54	CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccccc5F)c4)ccnc3c2)cc1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4455462		IC50	=	0.7	nM	382.37	Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C(N)=O)n3c2)n1	Homo sapiens	CHEMBL4339037	single protein format
CHEMBL4851363		IC50	=	0.79	nM	465.58	Cc1cccc(-c2cc(Nc3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc34)ccn2)c1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4863867		IC50	=	0.82	nM	452.54	CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccccc5F)c4)ccnc3c2)cn1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4877481		IC50	=	0.88	nM	451.55	CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccccc5)c4)ccnc3c2)cc1	Homo sapiens	CHEMBL4844300	cell-based format
CHEMBL4440988		IC50	=	0.9	nM	386.34	NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12	Homo sapiens	CHEMBL4339037	single protein format
CHEMBL4205457		IC50	=	0.96	nM	320.33	Cc1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1	Homo sapiens	CHEMBL4188411	cell-based format
CHEMBL2024688		IC50	=	1.0	nM	317.35	Cc1cccc(-n2ncc(C)c2-c2ccc3nc[nH]c(=O)c3c2)n1	Homo sapiens	CHEMBL2026330	single protein format
CHEMBL2024689		IC50	=	1.0	nM	345.41	CCc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(-c2cccc(C)n2)n1	Homo sapiens	CHEMBL2026330	single protein format
CHEMBL4458215		IC50	=	1.0	nM	339.35	Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3nccn3c2)n1	Homo sapiens	CHEMBL4339037	single protein format