3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // Ig_5 ]

 PyMOL session

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

 PyMOL session

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_2 ]

 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
CHEMBL4870179		IC50	=	0.12	nM	374.35	COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F	Homo sapiens	CHEMBL4810137	single protein format
CHEMBL4862823		IC50	=	0.17	nM	390.8	COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F	Homo sapiens	CHEMBL4810137	single protein format
CHEMBL5177696		IC50	=	0.18	nM	575.71	COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCCCC(=O)NO)c4)nc3c2)c1	Homo sapiens	CHEMBL5153629	single protein format
CHEMBL3827818		IC50	=	0.2	nM	509.4	CC(Oc1ccc2[nH]nc(-c3nc4cc(N5CCOCC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl	Homo sapiens	CHEMBL3830044	single protein format
CHEMBL4557949		IC50	=	0.2	nM	581.5	COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C6CCC6)CC5)cc4)n[nH]c3n2)c1Cl	Homo sapiens	CHEMBL4426404	single protein format
CHEMBL5189383		IC50	=	0.2	nM	446.56	COc1cc(OC)cc(N(CCNC(C)C)c2ccc3nc(-c4cnn(C)c4)cnc3c2)c1	Homo sapiens	CHEMBL5100325	single protein format
CHEMBL5178408		IC50	=	0.23	nM	547.66	COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCC(=O)NO)c4)nc3c2)c1	Homo sapiens	CHEMBL5153629	single protein format
CHEMBL5187998		IC50	=	0.24	nM	561.69	COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCCC(=O)NO)c4)nc3c2)c1	Homo sapiens	CHEMBL5153629	single protein format
CHEMBL5186645		IC50	=	0.25	nM	533.63	COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCC(=O)NO)c4)nc3c2)c1	Homo sapiens	CHEMBL5153629	single protein format
CHEMBL5202576		IC50	=	0.26	nM	589.74	COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCCCCC(=O)NO)c4)nc3c2)c1	Homo sapiens	CHEMBL5153629	single protein format
CHEMBL5186714		IC50	=	0.27	nM	581.68	COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(Cc5cccc(C(=O)NO)c5)c4)nc3c2)c1	Homo sapiens	CHEMBL5153629	single protein format
CHEMBL5182360		IC50	=	0.28	nM	519.61	COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCC(=O)NO)c4)nc3c2)c1	Homo sapiens	CHEMBL5153629	single protein format
CHEMBL4447359		IC50	=	0.3	nM	585.49	COCCN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(-c5c(Cl)c(OC)cc(OC)c5Cl)ccc34)cc2)CC1	Homo sapiens	CHEMBL4426404	single protein format
CHEMBL4447575		IC50	=	0.3	nM	569.45	COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C(C)=O)CC5)cc4)n[nH]c3n2)c1Cl	Homo sapiens	CHEMBL4426404	single protein format
CHEMBL4469836		IC50	=	0.3	nM	541.44	COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]c3n2)c1Cl	Homo sapiens	CHEMBL4426404	single protein format
CHEMBL4461734		IC50	=	0.3	nM	431.52	C#CC(=O)N1CCC(n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1	Homo sapiens	CHEMBL4382839	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	CHEMBL5243460	single protein format
CHEMBL3828009		IC50	=	0.3	nM	444.32	C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl	Homo sapiens	CHEMBL3830044	single protein format
CHEMBL4475243		IC50	<	0.3	nM	433.54	C=CC(=O)N1CC[C@H](n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1	Homo sapiens	CHEMBL4382839	single protein format
CHEMBL4438578		IC50	<	0.3	nM	455.57	C=CS(=O)(=O)N1CC(n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1	Homo sapiens	CHEMBL4382839	single protein format