Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50131941
Substrate
n/a
Meas. Tech.
ChEMBL_106606 (CHEMBL717443)
IC50
1.2±n/a nM
Citation
 Le Diguarher, T; Chollet, AM; Bertrand, M; Hennig, P; Raimbaud, E; Sabatini, M; Guilbaud, N; Pierré, A; Tucker, GC; Casara, P Stereospecific synthesis of 5-substituted 2-bisarylthiocyclopentane carboxylic acids as specific matrix metalloproteinase inhibitors. J Med Chem 46:3840-52 (2003) [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:
BDBM50131941
Synonyms:
2-(4'-Chloro-biphenyl-4-ylsulfanylmethyl)-N-hydroxy-4-(4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-butyramide | CHEMBL126461
Type:
Small organic molecule
Emp. Form.:
C24H21ClN4O3S
Mol. Mass.:
480.967
SMILES:
ONC(=O)C(CCn1nnc2ccccc2c1=O)CSc1ccc(cc1)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: