3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // fn3 ]

 PyMOL session

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // CD45 ]

 PyMOL session

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // fn3_11 ]

 PyMOL session

[ Domain: "(Phosphotyrosine protein) phosphatases II" // Y_phosphatase ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 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
CHEMBL200117		IC50	=	150.0	nM	569.74	CCCCCCCCCCCCCCc1ccc(C(=O)c2ccc3c(-c4ccc(OCC(=O)O)cc4)nocc2-3)cc1	Homo sapiens	CHEMBL865880	single protein format
CHEMBL51314		IC50	=	200.0	nM	307.35	CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2	Homo sapiens	CHEMBL655779	single protein format
CHEMBL89067		IC50	=	280.0	nM	361.49	CSc1ccnc(C[S+]([O-])c2nc3cc(OC(C)C)ccc3[nH]2)c1	Homo sapiens	CHEMBL656535	single protein format
CHEMBL515797		IC50	=	280.0	nM	554.36	O=C(O)COc1c(O)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCc1cccc(C(F)(F)F)c1	Homo sapiens	CHEMBL981149	single protein format
CHEMBL417727		IC50	=	400.0	nM	223.23	Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2	Homo sapiens	CHEMBL655779	single protein format
CHEMBL51781		IC50	=	400.0	nM	337.33	COC(=O)CCC(=O)Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O	Homo sapiens	CHEMBL655779	single protein format
CHEMBL51579		IC50	=	400.0	nM	337.33	COC(=O)CCC(=O)Nc1cccc2c1C(=O)C(=O)c1ccccc1-2	Homo sapiens	CHEMBL655779	single protein format
CHEMBL52491		IC50	=	400.0	nM	287.11	O=C1C(=O)c2cc(Br)ccc2-c2ccccc21	Homo sapiens	CHEMBL655779	single protein format
CHEMBL1650889		IC50	=	410.0	nM	562.58	COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc34)nn2)cc1	Homo sapiens	CHEMBL1664681	single protein format
CHEMBL53966		IC50	=	500.0	nM	371.39	O=C(COCc1ccccc1)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2	Homo sapiens	CHEMBL655779	single protein format
CHEMBL50149		IC50	=	500.0	nM	253.21	O=C1C(=O)c2cccc([N+](=O)[O-])c2-c2ccccc21	Homo sapiens	CHEMBL655779	single protein format
CHEMBL50347		IC50	=	500.0	nM	393.44	COC(=O)CCCCCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2	Homo sapiens	CHEMBL655779	single protein format
CHEMBL50973		IC50	=	500.0	nM	253.21	O=C1C(=O)c2ccc([N+](=O)[O-])cc2-c2ccccc21	Homo sapiens	CHEMBL655779	single protein format
CHEMBL584481		IC50	=	500.0	nM	595.7	O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1CCS(=O)(=O)O	Homo sapiens	CHEMBL1047964	single protein format
CHEMBL301801		IC50	=	500.0	nM	309.28	O=C(O)CNC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O	Homo sapiens	CHEMBL655779	single protein format
CHEMBL51776		IC50	=	500.0	nM	466.45	COC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1cc(NC(=O)CCC(=O)OC)ccc1-2	Homo sapiens	CHEMBL655779	single protein format
CHEMBL50878		IC50	=	600.0	nM	345.33	O=C(Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)c1ccccc1F	Homo sapiens	CHEMBL655779	single protein format
CHEMBL49992		IC50	=	600.0	nM	365.39	CC(C)(C)OC(=O)CNC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2	Homo sapiens	CHEMBL655779	single protein format
CHEMBL54131		IC50	=	600.0	nM	365.39	CC(C)(C)OC(=O)CNC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O	Homo sapiens	CHEMBL655779	single protein format
CHEMBL565810		IC50	=	610.0	nM	577.71	O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC(=S)N1CCS(=O)(=O)O	Homo sapiens	CHEMBL1047964	single protein format