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Literature summary for 3.4.24.B4 extracted from

  • Kothapalli, R.; Khan, A.M.; Basappa, A.M.; Gopalsamy, A.; Chong, Y.S.; Annamalai, L.
    Cheminformatics-based drug design approach for identification of inhibitors targeting the characteristic residues of MMP-13 hemopexin domain (2010), PLoS ONE, 5, e12494.
    View publication on PubMedView publication on EuropePMC

Inhibitors

Inhibitors Comment Organism Structure
1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid binding structure, modelling, overview Homo sapiens
2,3-dihydro-1,4-benzodioxine-2-carboxylic acid binding structure, modelling, overview Homo sapiens
2,3-dihydro-1,4-benzodioxine-5-carboxylic acid binding structure, modelling, overview Homo sapiens
2-(2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl)acetic acid binding structure, modelling, overview Homo sapiens
2-fluoroisophthalic acid binding structure, modelling, overview Homo sapiens
3-(carboxymethyl)-2-methylenepentanedioic acid binding structure, modelling, overview Homo sapiens
6-hydroxy-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid binding structure, modelling, overview Homo sapiens
additional information selective inhibition of MMP-13 may be achieved by targeting the hemopexin domain of the protease, which is critical for substrate specificity, systematic cheminformatics-based drug design with virtual screening, overview Homo sapiens

Metals/Ions

Metals/Ions Comment Organism Structure
Zn2+ MMP-13 is a zinc-dependent protease Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
type II collagen + H2O Homo sapiens
-
?
-
?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
additional information MMP-13 is expressed in osteoarthritis and rheumatoid arthritis patients, but not in normal adult tissues Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
type II collagen + H2O
-
Homo sapiens ?
-
?
type II collagen + H2O the hemopexin domain of the protease is critical for substrate specificity Homo sapiens ?
-
?

Synonyms

Synonyms Comment Organism
MMP-13
-
Homo sapiens