Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50098271
Substrate
n/a
Meas. Tech.
ChEMBL_106465 (CHEMBL858330)
IC50
2137.96±n/a nM
Citation
 Sarma, JA; Rambabu, G; Srikanth, K; Raveendra, D; Vithal, M Analogue based design of MMP-13 (Collagenase-3) inhibitors. Bioorg Med Chem Lett 12:2689-93 (2002) [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:
BDBM50098271
Synonyms:
2-(4-Phenoxy-benzenesulfonylamino)-5-phenyl-pent-4-ynoic acid | CHEMBL10822
Type:
Small organic molecule
Emp. Form.:
C23H19NO5S
Mol. Mass.:
421.466
SMILES:
OC(=O)C(CC#Cc1ccccc1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: