Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM26554
Substrate
n/a
Meas. Tech.
ChEMBL_497406 (CHEMBL1002947)
Ki
1700±n/a nM
Citation
 Georgiadis, D; Yiotakis, A Specific targeting of metzincin family members with small-molecule inhibitors: progress toward a multifarious challenge. Bioorg Med Chem 16:8781-94 (2008) [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:
BDBM26554
Synonyms:
3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1-thiol | CHEMBL402747 | thiol-aryl sulfone, 8b
Type:
Small organic molecule
Emp. Form.:
C13H16O3S2
Mol. Mass.:
284.394
SMILES:
CC#CCOc1ccc(cc1)S(=O)(=O)CCCS
Structure:
Search PDB for entries with ligand similarity: