Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50161331
Substrate
n/a
Meas. Tech.
ChEMBL_571091 (CHEMBL816917)
IC50
25±n/a nM
Citation
 Nuti, E; Casalini, F; Avramova, SI; Santamaria, S; Cercignani, G; Marinelli, L; La Pietra, V; Novellino, E; Orlandini, E; Nencetti, S; Tuccinardi, T; Martinelli, A; Lim, NH; Visse, R; Nagase, H; Rossello, A N-O-isopropyl sulfonamido-based hydroxamates: design, synthesis and biological evaluation of selective matrix metalloproteinase-13 inhibitors as potential therapeutic agents for osteoarthritis. J Med Chem 52:4757-73 (2009) [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:
BDBM50161331
Synonyms:
2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-hydroxy-acetamide | CHEMBL181244 | N-hydroxy-2-(N-isopropoxybiphenyl-4-ylsulfonamido)acetamide
Type:
Small organic molecule
Emp. Form.:
C17H20N2O5S
Mol. Mass.:
364.416
SMILES:
CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: