Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50096463
Substrate
n/a
Meas. Tech.
ChEBML_106467
IC50
8±n/a nM
Citation
 Levin, JI; Du, MT; DiJoseph, JF; Killar, LM; Sung, A; Walter, T; Sharr, MA; Roth, CE; Moy, FJ; Powers, R; Jin, G; Cowling, R; Skotnicki, JS The discovery of anthranilic acid-based MMP inhibitors. Part 1: SAR of the 3-position. Bioorg Med Chem Lett 11:235-8 (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:
BDBM50096463
Synonyms:
CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide | N-hydroxy-2-(4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)-3-methylbenzamide
Type:
Small organic molecule
Emp. Form.:
C21H21N3O5S
Mol. Mass.:
427.474
SMILES:
COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Structure:
Search PDB for entries with ligand similarity: