Inhibitor Report for: Diethyl-hydrogen-phosphateadduct left on enzyme after elimination of leaving group. Same adduct for Paraoxon, DEUP, echothiophate General | Type | | Covalent inhibitor adduct | | Chemical_Nomenclature | | diethyl hydrogen phosphate | | Canonical SMILES | | CCOP(=O)(O)OCC | | InChI | | InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6) | | InChIKey | | UCQFCFPECQILOL-UHFFFAOYSA-N
| | Other name(s) | | diethyl hydrogen phosphate ; Diethyl phosphate ; diethylphosphate ; Diethyl acid phosphate ; DEP |
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Target | Stucture | | | 34 structures (e.g. : 4UBI, 4UBJ, 4UBK... more) (less)4UBI: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 3.70 MGy at 100K, 4UBJ: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 5.55 MGy at 100K, 4UBK: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 7.40 MGy at 100K, 4UBL: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 9.26 MGy, 4UBM: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 11.11 MGy at 100K, 4UBN: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 1.85 MGy at 150K, 4UBO: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 3.70 MGy at 150K, 4W1P: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 5.54 MGy at 150K, 4W1Q: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 7.39 MGy at 150K, 4W1R: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 9.24 MGy at 150K, 4W1S: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 11.09 MGy at 150K, 4QWM: Kinetic crystallography of alphaE7-carboxylesterse from Lucilia cuprina.Absorbed X-ray dose 1.85 MGy, 5HF5: Crystal structure of human acetylcholinesterase in complex with paraoxon, 5HF9: Crystal structure of human acetylcholinesterase in complex with paraoxon and HI-6, 5HFA: Crystal structure of human acetylcholinesterase in complex with paraoxon and 2-PAM, 4GXN: Diethylphosphonate Inhibited Structure of the Proteus mirabilis Lipase, 4FNM: The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina 1 DEUP phosphorylated (DEUP inhibited diethyl phosphate adduct), 5CH5: The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: re-refinement DEUP phosphorylated (DEUP inhibited diethyl phosphate adduct), 5IVK: The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated-enzyme ensemble refinement (DEUP inhibited diethyl phosphate adduct), 5IVI: The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme qFit multi-conformer model (DEUP inhibited diethyl phosphate adduct), 2XMD: G117H mutant of human butyrylcholinesterase in complex with echothiophate, 2XLC: Acetyl xylan esterase from Bacillus pumilus CECT5072 bound to paraoxon, 3AIL: Crystal structure of a HSL-like carboxylesterase from Sulfolobus tokodaii complexed with paraoxon, 3D5E: Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by paraoxon, 3E1G: Snapshots of esterase D from lactobacillus rhamnosus: Insights into a rotation driven catalytic mechanism, 3DOI: Crystal Structure of a Thermostable Esterase complex with paraoxon, 3DD5: Glomerella cingulata E600-cutinase complex, 3A70: Crystal structure of Pseudomonas sp. MIS38 lipase in complex with diethyl phosphate, 6TP8: Substrate protein interactions in the limbus region of the catalytic site of Candida antarctica Lipase B, 2O7V: carboxylesterase AeCXE1 from kiwifruit covalently inhibited by paraoxon, 1DQY: Mycobacterium tuberculosis Antigen85c with diethyl phosphate inhibitor, 1XLW: Diethylphosphorylated Butyrylcholinesterase (Nonaged) Obtained By Reaction With Echothiophate, 2CUT: Fusarium solani cutinase + diethyl para-nitrophenyl phosphate, 4TGL: Rhizomucor miehei triacylglycerol lipase + diethyl phosphonate |
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