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Target
Collagenase 3
Ligand
BDBM29018
Substrate
Fluorescence-quenched peptide substrate
Meas. Tech.
Inhibition Potency Measurements
pH
7±n/a
Temperature
298.15±n/a K
IC50
778000±n/a nM
Citation
 Mannino, C; Nievo, M; Machetti, F; Papakyriakou, A; Calderone, V; Fragai, M; Guarna, A Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors. Bioorg Med Chem 14:7392-403 (2006) [PubMed]  Article 
Target
Name:
Collagenase 3
Synonyms:
MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13)
Type:
Enzyme
Mol. Mass.:
53808.06
Organism:
Homo sapiens (Human)
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM29018
Synonyms:
(1S,5S,7R)-3-N-hydroxy-7-N-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide | 3-azadioxabicyclooctane derivative, 20
Type:
Small organic molecule
Emp. Form.:
C20H21N3O5
Mol. Mass.:
383.3978
SMILES:
ONC(=O)N1C[C@H]2O[C@@H](C1)[C@@H](O2)C(=O)NCc1ccc(cc1)-c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorescence-quenched peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2468.31
Organism:
n/a
Description:
n/a
Residue:
23
Sequence:
MCAPRLEGLYLEDPAALAARGNH