3D structures mapped by conservation among orthologs

[ Domain: "SH2" // SH2 ]

 PyMOL session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

 PyMOL session

[ Domain: "Btk/CHORD zinc fingers" // BTK ]

 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
CHEMBL3647964		IC50	=	0.4	nM	440.51	C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	Homo sapiens	CHEMBL4843877	cell-based format
CHEMBL1873475		IC50	=	0.8	nM	440.51	C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	Homo sapiens	CHEMBL2060516	single protein format
CHEMBL4560385		IC50	=	0.9	nM	438.44	N#CN1CCC[C@@H](n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1	Homo sapiens	CHEMBL5243498	single protein format
CHEMBL5188812		IC50	=	1.1	nM	388.45	C=CC(=O)Nc1cccc(-c2c[nH]c3ncc(NC(=O)c4cccs4)cc23)c1	Homo sapiens	CHEMBL5128193	single protein format
CHEMBL3647967		IC50	=	1.1	nM	454.53	C=CC(=O)N[C@H]1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1	Homo sapiens	CHEMBL3887531	single protein format
CHEMBL5271284		IC50	=	1.2	nM	454.53	C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3C)c3c(N)ncnc32)C1	Homo sapiens	CHEMBL5258479	single protein format
CHEMBL3932338		IC50	=	1.3	nM	483.57	CC#CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1	Homo sapiens	CHEMBL5251918	single protein format
CHEMBL459850		IC50	=	1.4	nM	456.43	Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O	Homo sapiens	CHEMBL974014	single protein format
CHEMBL5193128		IC50	=	1.4	nM	473.58	C=CC(=O)N1CCC([C@@H]2CCNC3C(C(N)=O)C(c4ccc(Oc5ccccc5)cc4)=NN32)CC1	Homo sapiens	CHEMBL5127258	single protein format
CHEMBL4297674		IC50	=	1.5	nM	370.43	CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1	Homo sapiens	CHEMBL4616779	single protein format
CHEMBL1916891		IC50	=	1.53	nM	432.5	Cc1ccccc1Nc1nc2cc(F)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12	Homo sapiens	CHEMBL1919250	single protein format
CHEMBL4114766		IC50	=	1.8	nM	539.62	CC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1	Homo sapiens	CHEMBL5104911	single protein format
CHEMBL3290142		IC50	=	1.9	nM	560.54	C=CC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cn2)c1	Homo sapiens	CHEMBL3296228	single protein format
CHEMBL5404368		IC50	=	2.5	nM	465.52	C=CC(=O)N1CC[C@@H](N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)C1	Homo sapiens	CHEMBL5355221	single protein format
CHEMBL4248386		IC50	=	3.3	nM	383.47	C=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C	Homo sapiens	CHEMBL4235702	single protein format
CHEMBL4568087		IC50	=	3.5	nM	421.53	Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1	Homo sapiens	CHEMBL4479698	assay format
CHEMBL4752700		IC50	=	3.8	nM	438.49	C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4cc(CC)ccn4)cc3)c2c1	Homo sapiens	CHEMBL4726194	assay format
CHEMBL4071161		IC50	=	4.3	nM	454.49	CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	Homo sapiens	CHEMBL5127258	single protein format
CHEMBL4241958		IC50	=	5.2	nM	431.54	C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)c1C	Homo sapiens	CHEMBL4235702	single protein format
CHEMBL3936761		IC50	=	5.4	nM	471.56	C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1	Homo sapiens	CHEMBL4841670	cell-based format