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Ligand O-isobutyl-S-[2-(diethylamino)ethyl]methylphosphonothioic acid

Basic Ligand Information

Molecular Structure

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Roles as Enzyme Ligand

Substrate in Enzyme-catalyzed Reactions (4 results)

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Show Substrate (4 entries)

EC NUMBER

REACTION

REACTION DIAGRAM

LITERATURE

ENZYME 3D STRUCTURE

3.1.8.1

(S)-[2-(diethylamino)ethyl] O-(2-methylpropyl) methylphosphonothioate + H2O = 2-methylpropyl methylphosphonate + 2-(diethylamino)ethane-1-thiol

749898

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3.1.8.1

O-isobutyl S-(2-N,N-diethylaminoethyl)methylphosphonothioate + H2O = ?

694950

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3.1.8.1

O-isobutyl-S-[2-(diethylamino)ethyl]methylphosphonothioic acid + H2O = ?

708095

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3.1.8.1

russian VX + H2O = methyl-phosphonothioic acid S-(2-diethylamino-ethyl) ester + 2-methylpropanol

665987

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3.1.8.1

4 entries

Inhibitor in Enzyme-catalyzed Reactions (2 results)

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Show Inhibitors (2 entries)

EC NUMBER

COMMENTARY

LITERATURE

ENZYME 3D STRUCTURE

3.1.1.7

i.e. VR, detailed analysis of inhibition kinetics

663983

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3.1.1.7

-

729173

-

3.1.1.7

2 entries

Enzyme Kinetic Parameters

k_cat Value (Turnover Number) (1 result)

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Show Turnover Number (1 entry)

EC NUMBER

TURNOVER NUMBER [1/S]

TURNOVER NUMBER MAXIMUM [1/S]

COMMENTARY

LITERATURE

3.1.8.1

0.1

-

in 50 mM Tris-HCl buffer, 10 mM CaCl2, pH 7.4

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K_M Value (1 result)

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Show KM Value (1 entry)

EC NUMBER

KM VALUE [MM]

KM VALUE MAXIMUM [MM]

COMMENTARY

LITERATURE

3.1.8.1

0.5

-

in 50 mM Tris-HCl buffer, 10 mM CaCl2, pH 7.4

708095

References & Links

Literature References (6)

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Show Reference (6 entries)

BRENDA REFERENCE ID

PUBMED ID

TITLE

YEAR

AUTHORS

JOURNAL

VOLUME

PAGES

663983

15498514

Kinetic analysis of interactions between human acetylcholinesterase, structurally different organophosphorus compounds and oximes

2004

Worek, F.; Thiermann, H.; Szinicz, L.; Eyer, P.

Biochem. Pharmacol.

68

2237-2248

665987

16392809

Analogues with fluorescent leaving groups for screening and selection of enzymes that efficiently hydrolyze organophosphorus nerve agents

2006

Briseno-Roa, L.; Hill, J.; Notman, S.; Sellers, D.; Smith, A.P.; Timperley, C.M.; Wetherell, J.; Williams, N.H.; Williams, G.R.; Fersht, A.R.; Griffiths, A.D.

J. Med. Chem.

49

246-255

694950

18434422

Balancing the stability and the catalytic specificities of OP hydrolases with enhanced V-agent activities

2008

Reeves, T.E.; Wales, M.E.; Grimsley, J.K.; Li, P.; Cerasoli, D.M.; Wild, J.R.

Protein Eng. Des. Sel.

21

405-412

708095

20176005

Purification and characterization of functional human paraoxonase-1 expressed in Trichoplusia ni larvae

2010

Otto, T.C.; Kasten, S.A.; Kovaleva, E.; Liu, Z.; Buchman, G.; Tolosa, M.; Davis, D.; Smith, J.R.; Balcerzak, R.; Lenz, D.E.; Cerasoli, D.M.

Chem. Biol. Interact.

187

388-392

729173

23376121

Catalytic-site conformational equilibrium in nerve-agent adducts of acetylcholinesterase: possible implications for the HI-6 antidote substrate specificity

2013

Artursson, E.; Andersson, P.O.; Akfur, C.; Linusson, A.; Boerjegren, S.; Ekstroem, F.

Biochem. Pharmacol.

85

1389-1397

749898

26274608

Variants of phosphotriesterase for the enhanced detoxification of the chemical warfare agent VR

2015

Bigley, A.N.; Mabanglo, M.F.; Harvey, S.P.; Raushel, F.M.

Biochemistry

54

5502-5512

Links to other databases for O-isobutyl-S-[2-(diethylamino)ethyl]methylphosphonothioic acid

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Show Links (1 entry)

ChEBI

PubChem