BRENDA - Enzyme Database show

Understanding microscopic binding of human microsomal prostaglandin E synthase-1 with substrates and inhibitors by molecular modeling and dynamics simulation

Hamza, A.; Abdulhameed, M.D.; Zhan, C.G.; J. Phys. Chem. B 112, 7320-7329 (2008)

Data extracted from this reference:

Application
EC Number
Application
Commentary
Organism
5.3.99.3
medicine
mPGES-1 is a promising target for the development of anti-inflammatory drugs
Homo sapiens
Inhibitors
EC Number
Inhibitors
Commentary
Organism
Structure
5.3.99.3
leukotriene C4
-
Homo sapiens
5.3.99.3
MK-886
-
Homo sapiens
5.3.99.3
NS-398
-
Homo sapiens
5.3.99.3
sulindac
-
Homo sapiens
Localization
EC Number
Localization
Commentary
Organism
GeneOntology No.
Textmining
5.3.99.3
membrane
-
Homo sapiens
16020
-
Natural Substrates/ Products (Substrates)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
5.3.99.3
(5Z,13E)-(15S)-9alpha,11alpha-epidioxy-15-hydroxyprosta-5,13-dienoate
Homo sapiens
-
(5Z,13E)-(15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dienoate
-
-
?
Organism
EC Number
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
5.3.99.3
Homo sapiens
O14684
-
-
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
5.3.99.3
(5Z,13E)-(15S)-9alpha,11alpha-epidioxy-15-hydroxyprosta-5,13-dienoate
-
693841
Homo sapiens
(5Z,13E)-(15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dienoate
-
-
-
?
Subunits
EC Number
Subunits
Commentary
Organism
5.3.99.3
trimer
-
Homo sapiens
Cofactor
EC Number
Cofactor
Commentary
Organism
Structure
5.3.99.3
glutathione
-
Homo sapiens
IC50 Value
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
5.3.99.3
0.0016
-
-
Homo sapiens
MK-886
5.3.99.3
0.02
-
-
Homo sapiens
NS-398
5.3.99.3
0.08
-
-
Homo sapiens
sulindac
Application (protein specific)
EC Number
Application
Commentary
Organism
5.3.99.3
medicine
mPGES-1 is a promising target for the development of anti-inflammatory drugs
Homo sapiens
Cofactor (protein specific)
EC Number
Cofactor
Commentary
Organism
Structure
5.3.99.3
glutathione
-
Homo sapiens
IC50 Value (protein specific)
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
5.3.99.3
0.0016
-
-
Homo sapiens
MK-886
5.3.99.3
0.02
-
-
Homo sapiens
NS-398
5.3.99.3
0.08
-
-
Homo sapiens
sulindac
Inhibitors (protein specific)
EC Number
Inhibitors
Commentary
Organism
Structure
5.3.99.3
leukotriene C4
-
Homo sapiens
5.3.99.3
MK-886
-
Homo sapiens
5.3.99.3
NS-398
-
Homo sapiens
5.3.99.3
sulindac
-
Homo sapiens
Localization (protein specific)
EC Number
Localization
Commentary
Organism
GeneOntology No.
Textmining
5.3.99.3
membrane
-
Homo sapiens
16020
-
Natural Substrates/ Products (Substrates) (protein specific)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
5.3.99.3
(5Z,13E)-(15S)-9alpha,11alpha-epidioxy-15-hydroxyprosta-5,13-dienoate
Homo sapiens
-
(5Z,13E)-(15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dienoate
-
-
?
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
5.3.99.3
(5Z,13E)-(15S)-9alpha,11alpha-epidioxy-15-hydroxyprosta-5,13-dienoate
-
693841
Homo sapiens
(5Z,13E)-(15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dienoate
-
-
-
?
Subunits (protein specific)
EC Number
Subunits
Commentary
Organism
5.3.99.3
trimer
-
Homo sapiens