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Target
Collagenase 3
Ligand
BDBM50078669
Substrate
n/a
Meas. Tech.
ChEBML_101902
IC50
22±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:
BDBM50078669
Synonyms:
3-(4-Methoxy-benzenesulfonyl)-cyclohexanethiol | CHEMBL295066
Type:
Small organic molecule
Emp. Form.:
C13H18O3S2
Mol. Mass.:
286.41
SMILES:
COc1ccc(cc1)S(=O)(=O)C1CCCC(S)C1
Structure:
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