Reaction Details  Report a problem with these data
Target
Collagenase 3
Ligand
BDBM26545
Substrate
BDBM23499
Meas. Tech.
MMP Inhibition Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
700±n/a nM
Citation
 Govinda Rao, B; Bandarage, UK; Wang, T; Come, JH; Perola, E; Wei, Y; Tian, SK; Saunders, JO Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides. Bioorg Med Chem Lett 17:2250-3 (2007) [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:
BDBM26545
Synonyms:
1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidine-3-thiol | Racemic | thiol-arylsulfonamide, 4d
Type:
Small organic molecule
Emp. Form.:
C15H19NO3S2
Mol. Mass.:
325.446
SMILES:
CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCC(S)C1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM23499
Synonyms:
7-methoxycoumarin-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH | Wammp-5
Type:
Fluorogenic substrate
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: