Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50071833
Substrate
n/a
Meas. Tech.
ChEBML_106628
IC50
16±n/a nM
Citation
 Levin, JI; DiJoseph, JF; Killar, LM; Sung, A; Walter, T; Sharr, MA; Roth, CE; Skotnicki, JS; Albright, JD The synthesis and biological activity of a novel series of diazepine MMP inhibitors. Bioorg Med Chem Lett 8:2657-62 (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:
BDBM50071833
Synonyms:
CHEMBL88559 | {2-[3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-[1,4]diazepan-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C20H30N4O8S
Mol. Mass.:
486.539
SMILES:
COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)CNC(=O)OC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: