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Literature summary for 3.4.24.B4 extracted from

  • Settle, S.; Vickery, L.; Nemirovskiy, O.; Vidmar, T.; Bendele, A.; Messing, D.; Ruminski, P.; Schnute, M.; Sunyer, T.
    Cartilage degradation biomarkers predict efficacy of a novel highly selective matrix metalloproteinase 13 inhibitor in a dog model of osteoarthritis: Multivariate analysis confirmed that modulation of type II collagen aggrecan degradation peptides paralle (2010), Arthritis Rheum., 62, 3006-3015.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
N-(4-fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide i.e. PF152, a potent and highly selective MMP-13 inhibitor, that binds the S1' active site pocket of the enzyme, is not a ligand to the catalytic zinc atom, and dose-dependently decreases cartilage degradation ex vivo. PF152 treatment of osteoarthritis dogs reduces cartilage lesions and decreased biomarkers of type II collagen and aggrecan degradation Canis lupus familiaris
N-(4-fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide i.e. PF152, a non-hydroxamic acid and a potent and highly selective MMP-13 inhibitor, that binds the S1' active site pocket of the enzyme and is not a ligand to the catalytic zinc atom Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
extracellular matrix
-
Homo sapiens 31012
-
extracellular matrix
-
Canis lupus familiaris 31012
-

Natural Substrates/ Products (Substrates)

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

Organism

Organism UniProt Comment Textmining
Canis lupus familiaris
-
mature female beagles with osteoarthritis
-
Homo sapiens
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
cartilage articular Homo sapiens
-
cartilage articular Canis lupus familiaris
-
synovial fluid
-
Homo sapiens
-
synovial fluid
-
Canis lupus familiaris
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 + H2O
-
Canis lupus familiaris ?
-
?
type II collagen + H2O
-
Homo sapiens ?
-
?
type II collagen + H2O
-
Canis lupus familiaris ?
-
?
type II collagen + H2O full-length substrate from bovine Homo sapiens ?
-
?
type II collagen + H2O full-length substrate from bovine Canis lupus familiaris ?
-
?
type II gelatin + H2O
-
Homo sapiens ?
-
?
type II gelatin + H2O
-
Canis lupus familiaris ?
-
?
type II gelatin + H2O full-length substrate from bovine Homo sapiens ?
-
?
type II gelatin + H2O full-length substrate from bovine Canis lupus familiaris ?
-
?

Synonyms

Synonyms Comment Organism
matrix metalloproteinase 13
-
Homo sapiens
matrix metalloproteinase 13
-
Canis lupus familiaris
MMP-13
-
Homo sapiens
MMP-13
-
Canis lupus familiaris

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00000084
-
N-(4-fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide pH not specified in the publication, temperature not specified in the publication Canis lupus familiaris
0.0000015
-
N-(4-fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide pH not specified in the publication, temperature not specified in the publication Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000012
-
pH not specified in the publication, temperature not specified in the publication, versus full-length bovine type II collagen Homo sapiens N-(4-fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide
0.000002
-
pH not specified in the publication, temperature not specified in the publication, versus full-length bovine type II gelatin Homo sapiens N-(4-fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide