Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50151748
Substrate
n/a
Meas. Tech.
ChEMBL_305094 (CHEMBL832398)
IC50
21±n/a nM
Citation
 Noe, MC; Snow, SL; Wolf-Gouveia, LA; Mitchell, PG; Lopresti-Morrow, L; Reeves, LM; Yocum, SA; Liras, JL; Vaughn, M 3-Hydroxy-4-arylsulfonyltetrahydropyranyl-3-hydroxamic acids are novel inhibitors of MMP-13 and aggrecanase. Bioorg Med Chem Lett 14:4727-30 (2004) [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:
BDBM50151748
Synonyms:
3-Hydroxy-4-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-tetrahydro-pyran-3-carboxylic acid hydroxyamide | CHEMBL183935
Type:
Small organic molecule
Emp. Form.:
C20H23NO7S
Mol. Mass.:
421.464
SMILES:
Cc1ccccc1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: