Target
Collagenase 3
Ligand
BDBM50177311
Substrate
n/a
Meas. Tech.
ChEMBL_334537 (CHEMBL862520)
Ki
>5025±n/a nM
Citation
 Cherney, RJKing, BWGilmore, JLLiu, RQCovington, MBDuan, JJDecicco, CP Conversion of potent MMP inhibitors into selective TACE inhibitors. Bioorg Med Chem Lett 16:1028-31 (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:
BDBM50177311
Synonyms:
2-{2-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-ethyl}-1,1-dioxo-isothiazolidine-3-carboxylic acid hydroxyamide | CHEMBL204549
Type:
Small organic molecule
Emp. Form.:
C23H25N3O5S
Mol. Mass.:
455.527
SMILES:
Cc1cc(COc2ccc(CCN3C(CCS3(=O)=O)C(=O)NO)cc2)c2ccccc2n1
Structure:
Search PDB for entries with ligand similarity: