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

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
CHEMBL2385579		IC50	=	15.9	nM	346.39	c1cc(N2CCOCC2)ccc1-c1cnc2c(-c3cn[nH]c3)cnn2c1	Homo sapiens	CHEMBL2390520	single protein format
CHEMBL2385600		IC50	=	24.0	nM	291.31	COc1ccc(-c2cnc3c(-c4cn[nH]c4)cnn3c2)cc1	Homo sapiens	CHEMBL2390520	single protein format
CHEMBL1235645		IC50	=	36.2	nM	331.38	N#CCc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1	Homo sapiens	CHEMBL5252292	single protein format
CHEMBL2385586		IC50	=	59.0	nM	345.41	c1cc(N2CCNCC2)ccc1-c1cnc2c(-c3cn[nH]c3)cnn2c1	Homo sapiens	CHEMBL2390520	single protein format
CHEMBL478629		IC50	=	74.0	nM	399.5	c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1	Homo sapiens	CHEMBL2390520	single protein format
CHEMBL4435170		IC50	=	193.0	nM	425.47	[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC	Homo sapiens	CHEMBL5479496	single protein format
CHEMBL5271220		IC50	=	461.0	nM	321.34	O=C1NCCc2cccc(c2)Nc2nccc(n2)Nc2cc1[nH]n2	Homo sapiens	CHEMBL5252292	single protein format
CHEMBL5079149		IC50	=	488.0	nM	546.45	NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1	Homo sapiens	CHEMBL5046608	single protein format
CHEMBL5271697		IC50	=	506.0	nM	321.34	O=C1NCCc2ccc(cc2)Nc2nccc(n2)Nc2cc1[nH]n2	Homo sapiens	CHEMBL5252292	single protein format
CHEMBL5278418		IC50	=	630.0	nM	287.33	O=C1NCCCCCNc2nccc(n2)Nc2cc1[nH]n2	Homo sapiens	CHEMBL5252292	single protein format
CHEMBL2385591		IC50	=	695.0	nM	406.49	c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1	Homo sapiens	CHEMBL2390520	single protein format