Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50523951
Substrate
n/a
Meas. Tech.
ChEMBL_1891530 (CHEMBL4393357)
IC50
11±n/a nM
Citation
 Kalinin, DV; Agoglitta, O; Van de Vyver, H; Melesina, J; Wagner, S; Riemann, B; Schäfers, M; Sippl, W; Löffler, B; Holl, R Proline-based hydroxamates targeting the zinc-dependent deacetylase LpxC: Synthesis, antibacterial properties, and docking studies. Bioorg Med Chem 27:1997-2018 (2019) [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:
BDBM50523951
Synonyms:
CHEMBL4437091
Type:
Small organic molecule
Emp. Form.:
C25H28N2O4
Mol. Mass.:
420.5008
SMILES:
CCCCCc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NO |r|
Structure:
Search PDB for entries with ligand similarity: