3D structures mapped by conservation among orthologs

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

 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
CHEMBL5421280		IC50	<	0.01	nM	545.84	Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL5426560		IC50	<	0.01	nM	483.4	Cl.O=C(N[C@@H]1CNCC[C@H]1c1cccc(F)c1)c1cc2c(s1)OCCn1ncc(Cl)c1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL5407182		IC50	=	0.02	nM	481.42	Cl.O=C(N[C@@H]1CNCC[C@H]1c1cccc(F)c1)c1cc2c(s1)CCCn1ncc(Cl)c1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL5406146		IC50	=	0.023	nM	545.84	Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL5414576		IC50	=	0.035	nM	478.9	Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)c(F)c(F)c1)c1ccc2c(c1)OCCn1nccc1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL5398425		IC50	=	0.036	nM	525.88	Cl.O=C(N[C@@H]1CNCC[C@H]1c1cccc(F)c1)c1cc2c(s1)CCCn1ncc(Br)c1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL5437264		IC50	=	0.053	nM	501.39	Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Cl)c1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL5428430		IC50	=	0.054	nM	543.87	Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1)c1cc2c(s1)CCCn1ncc(Br)c1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL5400934		IC50	=	0.083	nM	563.83	Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)c(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL5408482		IC50	=	0.091	nM	543.87	Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cc2c(s1)CCCn1ncc(Br)c1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL3899716		IC50	=	0.1	nM	514.45	Cc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4Br)CC3)n2)ccc1F	Homo sapiens	CHEMBL3887297	single protein format
CHEMBL5438374		IC50	=	0.12	nM	519.38	Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)c(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Cl)c1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL3966806		IC50	=	0.15	nM	525.5	CC(C)c1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4Br)CC3)n2)ccn1	Homo sapiens	CHEMBL3887297	single protein format
CHEMBL379300		IC50	=	0.16	nM	397.48	Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12	Homo sapiens	CHEMBL889241	single protein format
CHEMBL573326		IC50	=	0.17	nM	464.53	N[C@H](COc1cncc(-c2ccc3c(c2)C(c2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12	Homo sapiens	CHEMBL1049250	single protein format
CHEMBL210954		IC50	=	0.17	nM	520.63	CC(C)(Cc1ccco1)C1C(=O)Nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc21	Homo sapiens	CHEMBL866644	single protein format
CHEMBL5411877		IC50	=	0.22	nM	495.0	CCc1cnn2c1-c1cc(C(=O)N[C@@H]3CNCC[C@H]3c3ccc(F)c(F)c3)sc1OCC2.Cl	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL5405650		IC50	=	0.3	nM	460.91	Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1)c1ccc2c(c1)OCCn1nccc1-2	Homo sapiens	CHEMBL5369550	single protein format
CHEMBL3936990		IC50	=	0.3	nM	463.61	CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CC2CN(C)C2)CC1	Homo sapiens	CHEMBL3887297	single protein format
CHEMBL3679636		IC50	=	0.34	nM	497.55	N[C@]1(c2ccc(-c3nc4ccc5nnc(C(F)F)n5c4cc3-c3ccccc3)cc2)C[C@](O)(C2CC2)C1	Homo sapiens	CHEMBL3705350	single protein format