Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50361639
Substrate
n/a
Meas. Tech.
ChEMBL_799260 (CHEMBL1941810)
Ki
824±n/a nM
Citation
 Roth, J; Minond, D; Darout, E; Liu, Q; Lauer, J; Hodder, P; Fields, GB; Roush, WR Identification of novel, exosite-binding matrix metalloproteinase-13 inhibitor scaffolds. Bioorg Med Chem Lett 21:7180-4 (2011) [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:
BDBM50361639
Synonyms:
CHEMBL1371684
Type:
Small organic molecule
Emp. Form.:
C15H16N2OS
Mol. Mass.:
272.365
SMILES:
Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Structure:
Search PDB for entries with ligand similarity: