3D structures mapped by conservation among orthologs

[ Domain: "CRIB domain" // PBD ]

 PyMOL session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

 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
CHEMBL388978		IC50	=	1.9	nM	466.54	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	Homo sapiens	CHEMBL4012135	assay format
CHEMBL5180027		IC50	=	2.7	nM	356.86	N[C@H]1CC[C@@H](Nc2nc(Nc3cccc(Cl)c3)nc3[nH]ccc23)CC1	Homo sapiens	CHEMBL5146658	single protein format
CHEMBL3355023		IC50	=	5.3	nM	404.43	CCNc1nc2ccc(C#C[C@@](C)(O)c3cc(C)on3)cc2n1-c1ncnc(N)n1	Homo sapiens	CHEMBL3379048	single protein format
CHEMBL5175418		IC50	=	5.9	nM	363.47	Cc1cc(Nc2cc(Cc3ccccc3)nc(NC3CCNCC3)n2)n[nH]1	Homo sapiens	CHEMBL5115593	single protein format
CHEMBL3128042		IC50	=	7.5	nM	406.49	COCCNc1nc2ccc(C#CC3(O)CCCCC3)cc2n1-c1ccnc(N)n1	Homo sapiens	CHEMBL3129187	single protein format
CHEMBL5429021		IC50	=	9.0	nM	471.95	N[C@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)Cc1ccccc1	Homo sapiens	CHEMBL5391774	single protein format
CHEMBL5411182		IC50	=	10.0	nM	423.91	CC(C)[C@@H](N)CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1	Homo sapiens	CHEMBL5391774	single protein format
CHEMBL494089		IC50	=	10.0	nM	425.49	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21	Homo sapiens	CHEMBL1028114	single protein format
CHEMBL5400697		IC50	=	11.0	nM	471.95	N[C@@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)Cc1ccccc1	Homo sapiens	CHEMBL5391774	single protein format
CHEMBL4097816		IC50	=	11.1	nM	411.9	C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1	Homo sapiens	CHEMBL4033364	assay format
CHEMBL5395115		IC50	=	13.0	nM	457.93	N[C@@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)c1ccccc1	Homo sapiens	CHEMBL5391774	single protein format
CHEMBL1198335		IC50	=	14.9	nM	350.42	COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1	Homo sapiens	CHEMBL4342899	single protein format
CHEMBL5414332		IC50	=	16.0	nM	423.91	CC(C)[C@H](N)CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1	Homo sapiens	CHEMBL5391774	single protein format
CHEMBL4078441		IC50	=	16.0	nM	374.4	O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C/c1cnc[nH]1	Homo sapiens	CHEMBL4035580	single protein format
CHEMBL3128043		IC50	=	18.7	nM	490.64	Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1	Homo sapiens	CHEMBL3611423	single protein format
CHEMBL5183512		IC50	=	20.2	nM	356.86	N[C@H]1CC[C@H](Nc2nc(Nc3cccc(Cl)c3)nc3[nH]ccc23)CC1	Homo sapiens	CHEMBL5146658	single protein format
CHEMBL4104099		IC50	=	22.0	nM	373.41	O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C/c1ccc[nH]1	Homo sapiens	CHEMBL4035580	single protein format
CHEMBL5401120		IC50	=	24.0	nM	457.93	N[C@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)c1ccccc1	Homo sapiens	CHEMBL5391774	single protein format
CHEMBL4160587		IC50	=	25.0	nM	450.5	O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C(\c1ccccc1)c1ncc[nH]1	Homo sapiens	CHEMBL4155717	single protein format
CHEMBL4088781		IC50	=	27.0	nM	401.47	Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(C(=O)N[C@H](CO)c4ccccc4)cc32)[nH]1	Homo sapiens	CHEMBL4035580	single protein format