3D structures mapped by conservation among orthologs

[ Domain: "PH domain-like" // PH_3 ]

 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
CHEMBL3689244		IC50	=	1.0	nM	569.66	CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2)CC1	Homo sapiens	CHEMBL3705125	single protein format
CHEMBL3644680		IC50	=	1.0	nM	470.44	O=C(NCC#Cc1ccc2ncc3nc[nH]c3c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O	Homo sapiens	CHEMBL3705594	assay format
CHEMBL3644758		IC50	=	1.0	nM	498.49	CCn1cnc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c21	Homo sapiens	CHEMBL3705594	assay format
CHEMBL3689239		IC50	=	1.0	nM	542.59	CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1	Homo sapiens	CHEMBL3705125	single protein format
CHEMBL3644700		IC50	=	1.0	nM	537.6	Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](CO)c5cccc(F)c5)c4=O)cc3c2n1C(C)C	Homo sapiens	CHEMBL3705594	assay format
CHEMBL3644710		IC50	=	1.0	nM	539.59	Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C	Homo sapiens	CHEMBL3705594	assay format
CHEMBL3689220		IC50	=	1.0	nM	586.64	CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1	Homo sapiens	CHEMBL3705125	single protein format
CHEMBL3644712		IC50	=	1.0	nM	556.57	COc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1	Homo sapiens	CHEMBL3705594	assay format
CHEMBL3644755		IC50	=	2.0	nM	568.58	Cc1nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C1CCCOC1	Homo sapiens	CHEMBL3705594	assay format
CHEMBL3689245		IC50	=	2.0	nM	567.67	CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](CO)c5cccc(F)c5)c4=O)cc3c2)CC1	Homo sapiens	CHEMBL3705125	single protein format
CHEMBL3689221		IC50	=	2.0	nM	571.63	CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1	Homo sapiens	CHEMBL3705125	single protein format
CHEMBL3689241		IC50	=	2.0	nM	555.63	CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1	Homo sapiens	CHEMBL3705125	single protein format
CHEMBL3644733		IC50	=	2.0	nM	594.67	Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1C1CCN(C)CC1	Homo sapiens	CHEMBL3705594	assay format
CHEMBL3689310		IC50	=	2.0	nM	574.6	CN1CCC[C@@H](COc2ccnc3ccc(C#CCNC(=O)c4cccn(Cc5cc(F)c(F)c(F)c5)c4=O)cc23)C1	Homo sapiens	CHEMBL3705125	single protein format
CHEMBL3689292		IC50	=	2.0	nM	543.57	O=C(NCC#Cc1ccc2nccc(OCC3CCCNC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O	Homo sapiens	CHEMBL3705125	single protein format
CHEMBL3639436		IC50	=	2.0	nM	512.52	CC(C)n1cnc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c21	Homo sapiens	CHEMBL3705594	assay format
CHEMBL3689293		IC50	=	2.0	nM	544.6	CC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OCCCN(C)C)c3c2)c1=O	Homo sapiens	CHEMBL3705125	single protein format
CHEMBL3689311		IC50	=	2.0	nM	588.63	CC(c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCCN(C)C4)c3c2)c1=O	Homo sapiens	CHEMBL3705125	single protein format
CHEMBL3644722		IC50	=	2.0	nM	554.6	Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CN)c5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C	Homo sapiens	CHEMBL3705594	assay format
CHEMBL3644683		IC50	=	2.0	nM	528.52	O=C(NCC#Cc1ccc2ncc3ncn(CCCO)c3c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O	Homo sapiens	CHEMBL3705594	assay format