3D structures mapped by conservation among orthologs

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

 PyMOL session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

 PyMOL session

[ Domain: "Fibroblast growth factor receptor 3 transmembrane domain" // EUF08784 ]

 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
CHEMBL3701266		IC50	=	0.1	nM	405.46	C=CC(=O)N1CC(N2C=C(C#Cc3cc(OC)cc(OC)c3)C3C(N)=NC=NC32)C1	Homo sapiens	CHEMBL3705583	single protein format
CHEMBL3937124		IC50	=	0.2	nM	456.96	COc1cc(C)cc2cc(-c3c(CN4CCNC(=O)C4)c(Cl)n4ncnc(N)c34)sc12	Homo sapiens	CHEMBL3887675	single protein format
CHEMBL5175256		IC50	=	0.2	nM	449.53	[2H]C([2H])([2H])NC(=O)c1cncc(-c2cnn3cc(-c4ccn(C(C)C)n4)c(N[C@H]4CCOC4)nc23)c1	Homo sapiens	CHEMBL5100323	cell-based format
CHEMBL3701239		IC50	=	0.2	nM	416.44	C#CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1	Homo sapiens	CHEMBL3705583	single protein format
CHEMBL4870179		IC50	=	0.27	nM	374.35	COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F	Homo sapiens	CHEMBL4810139	single protein format
CHEMBL5271030		IC50	<	0.3	nM	498.41	C=CC(=O)N1CC[C@H](c2nc(-c3cc4cc(Br)cc(OC)c4s3)c3c(N)nccn23)C1	Homo sapiens	CHEMBL5243462	single protein format
CHEMBL3701241		IC50	=	0.3	nM	404.43	C=CC(=O)N1CC(n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1	Homo sapiens	CHEMBL3705583	single protein format
CHEMBL4443370		IC50	=	0.3731	nM	499.58	C[C@@H]1CN(c2ccc3nc(-c4c(N[C@@H](C)c5ncccn5)c5nn(C)cc5[nH]c4=O)[nH]c3c2)C[C@H](C)O1	Homo sapiens	CHEMBL4400500	single protein format
CHEMBL5203027		IC50	=	0.4	nM	447.5	CNC(=O)c1cncc(-c2cnn3cc(-c4cnn(C(C)C)c4)c(O[C@H]4CCOC4)nc23)c1	Homo sapiens	CHEMBL5100323	cell-based format
CHEMBL4577380		IC50	=	0.4113	nM	472.51	C[C@H](Nc1c(-c2nc3cnc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1	Homo sapiens	CHEMBL4400500	single protein format
CHEMBL3690444		IC50	=	0.447	nM	499.5	CC(C)(CO)Nc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1	Homo sapiens	CHEMBL3705512	single protein format
CHEMBL3690562		IC50	=	0.46	nM	478.44	O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nccc(-n5ccnc5)n4)ccn23)c1	Homo sapiens	CHEMBL3705512	single protein format
CHEMBL5177696		IC50	=	0.46	nM	575.71	COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCCCC(=O)NO)c4)nc3c2)c1	Homo sapiens	CHEMBL5153633	single protein format
CHEMBL4529789		IC50	=	0.48	nM	489.52	C[C@H](Nc1c(-c2nc3c(F)cc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1	Homo sapiens	CHEMBL4400500	single protein format
CHEMBL3690492		IC50	=	0.484	nM	511.51	O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCCC(O)C5)nn4)ccn23)c1	Homo sapiens	CHEMBL3705512	single protein format
CHEMBL4862823		IC50	=	0.49	nM	390.8	COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F	Homo sapiens	CHEMBL4810139	single protein format
CHEMBL3647342		IC50	=	0.49	nM	414.39	Cn1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c1	Homo sapiens	CHEMBL3705596	single protein format
CHEMBL3911335		IC50	=	0.5	nM	445.98	COc1cc(C)cc2cc(-c3c(CNCC(C)(C)O)c(Cl)n4ncnc(N)c34)sc12	Homo sapiens	CHEMBL3887675	single protein format
CHEMBL4294625		IC50	=	0.5	nM	573.65	CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCO)cc21	Homo sapiens	CHEMBL4271734	assay format
CHEMBL3701262		IC50	=	0.5	nM	473.53	COc1cc(C#Cc2cn([C@H]3CCN(C(=O)C#CC(C)(C)O)C3)c3ncnc(N)c23)cc(OC)c1	Homo sapiens	CHEMBL3705583	single protein format