3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // TIG_2 ]

 PyMOL session

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // TIG_1 ]

 PyMOL session

[ Domain: "7-bladed" // Sema_2 ]

 PyMOL session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

 PyMOL session

[ Domain: "Trefoil/Plexin domain-like" // PSI_1 ]

 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
CHEMBL5184459		IC50	=	0.019	nM	466.55	Cn1cc(-c2ccc(=O)n(CC3CN(c4ncc(OCC5CCNCC5)cn4)CCO3)n2)cn1	Homo sapiens	CHEMBL5104346	single protein format
CHEMBL5174958		IC50	=	0.035	nM	499.58	O=c1ccc(-c2cccnc2)nn1CC1CN(c2ncc(-c3cnn(C4CCNCC4)c3)cn2)CCO1	Homo sapiens	CHEMBL5104346	single protein format
CHEMBL3582305		IC50	=	0.13	nM	413.42	CNC(=O)c1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F	Homo sapiens	CHEMBL3583343	single protein format
CHEMBL3188267		IC50	=	0.13	nM	412.43	CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F	Homo sapiens	CHEMBL3767620	single protein format
CHEMBL5095061		IC50	=	0.14	nM	409.43	CCN1Cc2c(ccc(F)c2C#N)O[C@@H](C)CNC(=O)c2c(N)nn3ccc1nc23	Homo sapiens	CHEMBL5356777	single protein format
CHEMBL3797911		IC50	=	0.19	nM	384.4	COc1ccc2c(OCc3nnc4ncc(-c5ccccc5)nn34)ccnc2c1	Homo sapiens	CHEMBL3801041	single protein format
CHEMBL3674547		IC50	=	0.2	nM	379.36	C/C(=N\NC(N)=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1	Homo sapiens	CHEMBL3705294	single protein format
CHEMBL2032280		IC50	=	0.2	nM	504.47	Cc1c(O)ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc12.O=C(O)C(F)(F)F	Homo sapiens	CHEMBL2034187	single protein format
CHEMBL3674540		IC50	=	0.2	nM	362.36	N=C(NNC(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1	Homo sapiens	CHEMBL3705294	single protein format
CHEMBL3674521		IC50	=	0.2	nM	374.41	C/C(=N\NC(N)=O)c1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1	Homo sapiens	CHEMBL3705294	single protein format
CHEMBL3674541		IC50	=	0.3	nM	347.34	NC(=O)N/N=C/c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1	Homo sapiens	CHEMBL3705294	single protein format
CHEMBL3674515		IC50	=	0.3	nM	396.36	C/C(=N\NC(N)=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1	Homo sapiens	CHEMBL3705294	single protein format
CHEMBL4104884		IC50	=	0.3	nM	529.49	CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3ccc(C(N)=O)c(F)c3)nc21	Homo sapiens	CHEMBL4021199	single protein format
CHEMBL4061378		IC50	=	0.3	nM	433.48	CC(c1ccc2ncc(-c3cnn(C)c3)cc2c1)n1nnc2ncc(-c3ccncc3)nc21	Homo sapiens	CHEMBL4021199	single protein format
CHEMBL2376640		IC50	=	0.32	nM	429.28	C[C@@H](Oc1c[nH]c(=O)c(C(=O)NC2CCOCC2)c1)c1c(Cl)ccc(F)c1Cl	Homo sapiens	CHEMBL2379920	single protein format
CHEMBL3674505		IC50	=	0.4	nM	373.42	C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](C)c3ccc4ncccc4c3)n2n1	Homo sapiens	CHEMBL3705294	single protein format
CHEMBL3674548		IC50	=	0.4	nM	378.37	CC(=O)N/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1	Homo sapiens	CHEMBL3705294	single protein format
CHEMBL3674495		IC50	=	0.4	nM	395.37	C/C(=N\NC(N)=O)c1ccc2ncc(Cc3c(F)cc4ncccc4c3F)n2n1	Homo sapiens	CHEMBL3705294	single protein format
CHEMBL4097173		IC50	=	0.4	nM	472.46	CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3cnn(C)c3)nc21	Homo sapiens	CHEMBL4021199	single protein format
CHEMBL4070258		IC50	=	0.4	nM	502.49	CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3cnn(CCO)c3)nc21	Homo sapiens	CHEMBL4021199	single protein format