Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50170294
Substrate
n/a
Meas. Tech.
ChEMBL_305658 (CHEMBL829516)
IC50
0.980000±n/a nM
Citation
 Wu, J; Rush, TS; Hotchandani, R; Du, X; Geck, M; Collins, E; Xu, ZB; Skotnicki, J; Levin, JI; Lovering, FE Identification of potent and selective MMP-13 inhibitors. Bioorg Med Chem Lett 15:4105-9 (2005) [PubMed]  Article 
Target
Name:
Collagenase 3
Synonyms:
MMP13 | MMP13_BOVIN | Matrix metalloproteinase 13
Type:
PROTEIN
Mol. Mass.:
53910.47
Organism:
Bos taurus
Description:
ChEMBL_305658
Residue:
471
Sequence:
MHPRVLAGFLFFSWTACWSLPLPSDGDSEDLSEEDFQFAESYLKSYYYPQNPAGILKKTAASSVIDRLREMQSFFGLEVTGRLDDNTLDIMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDLTHSEVEKAFRKAFKVWSDVTPLNFTRIHNGTADIMISFGTKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPYSKHPKTPDKCDPSLSLDAITSLRGETLIFKDRFFWRLHPQQVEAELFLTKSFGPELPNRIDAAYEHPSHDLIFIFRGRKFWALSGYDILEDYPKKISELGFPKHVKKISAALHFEDSGKTLFFSENQVWSYDDTNHVMDKDYPRLIEEVFPGIGDKVDAVYQKNGYIYFFNGPIQFEYSIWSNRIVRVMTTNSLLWC
  
Inhibitor
Name:
BDBM50170294
Synonyms:
(S)-2-{4'-[(5-Acetylamino-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid | CHEMBL362522
Type:
Small organic molecule
Emp. Form.:
C28H27N3O7S
Mol. Mass.:
549.595
SMILES:
CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3cc(NC(C)=O)ccc3o2)cc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: