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Target
Collagenase 3
Ligand
BDBM50076593
Substrate
n/a
Meas. Tech.
ChEBML_101902
IC50
2±n/a nM
Citation
 Freskos, JN; McDonald, JJ; Mischke, BV; Mullins, PB; Shieh, HS; Stegeman, RA; Stevens, AM Synthesis and identification of conformationally constrained selective MMP inhibitors. Bioorg Med Chem Lett 9:1757-60 (1999) [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:
BDBM50076593
Synonyms:
3-(4-Phenylsulfanyl-benzenesulfonyl)-propane-1-thiol | CHEMBL48969
Type:
Small organic molecule
Emp. Form.:
C15H16O2S3
Mol. Mass.:
324.481
SMILES:
SCCCS(=O)(=O)c1ccc(Sc2ccccc2)cc1
Structure:
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