3D structures mapped by conservation among orthologs

[ Domain: "PH domain-like" // PH ]

 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
CHEMBL4206765		IC50	=	0.09	nM	499.6	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cc[nH]c(=O)c4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4217959		IC50	=	0.1	nM	499.6	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(N)n4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4214683		IC50	=	0.11	nM	498.61	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(C)n4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4219011		IC50	=	0.16	nM	512.64	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(NC)c4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4207292		IC50	=	0.2	nM	498.61	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(N)c4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4211372		IC50	=	0.62	nM	473.56	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4216187		IC50	=	0.67	nM	502.6	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(NC)ccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4208358		IC50	=	0.74	nM	491.55	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(F)ccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4297674		IC50	=	0.9	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	CHEMBL4616778	single protein format
CHEMBL4248386		IC50	=	0.9	nM	383.47	C=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C	Homo sapiens	CHEMBL4235703	single protein format
CHEMBL4204572		IC50	=	0.98	nM	470.55	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(C)(F)F)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL5077961		IC50	=	1.34	nM	578.65	Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc(C3=CCN(C4COC4)CC3)[nH]c2n1	Homo sapiens	CHEMBL5054204	assay format
CHEMBL4203077		IC50	=	1.65	nM	586.76	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4206487		IC50	=	1.78	nM	569.72	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4114766		IC50	=	1.9	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	CHEMBL5104917	single protein format
CHEMBL4215147		IC50	=	1.96	nM	588.73	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(CNCC(C)(C)CO)ccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4218914		IC50	=	2.27	nM	555.65	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CN4CCOCC4)ccc31)C2	Homo sapiens	CHEMBL4199506	single protein format
CHEMBL4241958		IC50	=	2.3	nM	431.54	C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)c1C	Homo sapiens	CHEMBL4235703	single protein format
CHEMBL3973435		IC50	=	2.5	nM	471.56	C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1	Homo sapiens	CHEMBL5251901	single protein format
CHEMBL3935034		IC50	=	2.9	nM	507.54	C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)nn32)CC1	Homo sapiens	CHEMBL5251901	single protein format