3D structures mapped by conservation among orthologs

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

 PyMOL session

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // Interfer-bind_2 ]

 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
CHEMBL17201		IC50	=	0.053	nM	234.3	O=C(/C=C/c1ccccc1)/C=C/c1ccccc1	Homo sapiens	CHEMBL3072496	cell-based format
CHEMBL230128		IC50	=	0.054	nM	472.71	CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	Homo sapiens	CHEMBL4004182	cell-based format
CHEMBL276473		IC50	=	0.12	nM	224.26	O=C(/C=C/c1ccccc1)c1ccc(O)cc1	Homo sapiens	CHEMBL3072496	cell-based format
CHEMBL486400		IC50	=	0.221	nM	472.71	CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	Homo sapiens	CHEMBL4004182	cell-based format
CHEMBL470029		IC50	=	0.221	nM	454.7	CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	Homo sapiens	CHEMBL4004182	cell-based format
CHEMBL4092579		IC50	=	0.221	nM	472.71	C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12	Homo sapiens	CHEMBL4004182	cell-based format
CHEMBL274993		IC50	=	0.26	nM	274.36	O=C1/C(=C/c2ccccc2)CCC/C1=C\c1ccccc1	Homo sapiens	CHEMBL3072496	cell-based format
CHEMBL482409		IC50	=	0.94	nM	306.36	O=C1/C(=C/c2ccc(O)cc2)CCC/C1=C\c1ccc(O)cc1	Homo sapiens	CHEMBL3072496	cell-based format
CHEMBL145927		IC50	=	0.96	nM	240.26	O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1	Homo sapiens	CHEMBL3072496	cell-based format
CHEMBL4080417		IC50	=	1.294	nM	472.71	CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	Homo sapiens	CHEMBL4004182	cell-based format
CHEMBL129134		IC50	=	2.58	nM	266.3	O=C(/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1	Homo sapiens	CHEMBL3072496	cell-based format
CHEMBL2314739		IC50	=	3.75	nM	455.51	COc1ccc2c(c1OC(=O)/C=C/c1ccccc1)CN1CCc3cc4c(cc3C1C2)OCO4	Homo sapiens	CHEMBL2319887	cell-based format
CHEMBL445301		IC50	=	4.678	nM	546.84	CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	Homo sapiens	CHEMBL4004182	cell-based format
CHEMBL168		IC50	=	4.975	nM	456.71	CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	Homo sapiens	CHEMBL4004182	cell-based format
CHEMBL2314733		IC50	=	6.75	nM	325.36	COc1ccc2c(c1O)CN1CCc3cc4c(cc3[C@H]1C2)OCO4	Homo sapiens	CHEMBL2319887	cell-based format
CHEMBL275097		IC50	=	8.35	nM	339.39	COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4	Homo sapiens	CHEMBL2319887	cell-based format
CHEMBL2314742		IC50	=	8.79	nM	487.51	COc1ccc2c(c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CN1CCc3cc4c(cc3[C@H]1C2)OCO4	Homo sapiens	CHEMBL2319887	cell-based format
CHEMBL2314746		IC50	=	12.17	nM	325.36	COc1ccc2c(c1O)CN1CCc3cc4c(cc3C1C2)OCO4	Homo sapiens	CHEMBL2319887	cell-based format
CHEMBL2314744		IC50	=	12.61	nM	503.55	COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3CN1CC2	Homo sapiens	CHEMBL2319887	cell-based format
CHEMBL140		IC50	=	13.16	nM	368.39	COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O	Homo sapiens	CHEMBL4004182	cell-based format