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Target
Collagenase 3
Ligand
BDBM29642
Substrate
n/a
Meas. Tech.
ChEMBL_518658 (CHEMBL963566)
IC50
1700±n/a nM
Citation
 Lauer-Fields, JL; Minond, D; Chase, PS; Baillargeon, PE; Saldanha, SA; Stawikowska, R; Hodder, P; Fields, GB High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate. Bioorg Med Chem 17:990-1005 (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:
BDBM29642
Synonyms:
4-[(5-thiophen-2-yl-2-thiophenyl)methylideneamino]phenol | 4-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol | 4-[[5-(2-thienyl)-2-thienyl]methyleneamino]phenol | CHEMBL504791 | MLS000106248 | SMR000103217 | cid_796420
Type:
Small organic molecule
Emp. Form.:
C15H11NOS2
Mol. Mass.:
285.384
SMILES:
Oc1ccc(cc1)\N=C\c1ccc(s1)-c1cccs1
Structure:
Search PDB for entries with ligand similarity: