Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50429816
Substrate
n/a
Meas. Tech.
ChEMBL_948652 (CHEMBL2345602)
IC50
0.650000±n/a nM
Citation
 Nuti, E; Santamaria, S; Casalini, F; Yamamoto, K; Marinelli, L; La Pietra, V; Novellino, E; Orlandini, E; Nencetti, S; Marini, AM; Salerno, S; Taliani, S; Da Settimo, F; Nagase, H; Rossello, A Arylsulfonamide inhibitors of aggrecanases as potential therapeutic agents for osteoarthritis: synthesis and biological evaluation. Eur J Med Chem 62:379-94 (2013) [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:
BDBM50429816
Synonyms:
CHEMBL2337697
Type:
Small organic molecule
Emp. Form.:
C13H13N3O5S
Mol. Mass.:
323.324
SMILES:
ONC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)nc1
Structure:
Search PDB for entries with ligand similarity: