Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50095584
Substrate
n/a
Meas. Tech.
ChEMBL_106477 (CHEMBL719146)
IC50
2±n/a nM
Citation
 Natchus, MG; Bookland, RG; De, B; Almstead, NG; Pikul, S; Janusz, MJ; Heitmeyer, SA; Hookfin, EB; Hsieh, LC; Dowty, ME; Dietsch, CR; Patel, VS; Garver, SM; Gu, F; Pokross, ME; Mieling, GE; Baker, TR; Foltz, DJ; Peng, SX; Bornes, DM; Strojnowski, MJ; Taiwo, YO Development of new hydroxamate matrix metalloproteinase inhibitors derived from functionalized 4-aminoprolines. J Med Chem 43:4948-63 (2001) [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:
BDBM50095584
Synonyms:
4-(2-Benzyloxy-3-phenyl-propionylamino)-1-(4-methoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide | CHEMBL343911
Type:
Small organic molecule
Emp. Form.:
C28H31N3O7S
Mol. Mass.:
553.627
SMILES:
COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](Cc1ccccc1)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: