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Target
Collagenase 3
Ligand
BDBM40458
Substrate
n/a
Meas. Tech.
Dose-response biochemical assay for inhibitors of Matrix Metalloproteinase 13 (MMP13) activity
IC50
10860±n/a nM
Citation
 PubChem, PC Dose-response biochemical assay for inhibitors of Matrix Metalloproteinase 13 (MMP13) activity PubChem Bioassay (2007)[AID] 
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:
BDBM40458
Synonyms:
3-[(2Z)-2-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;pyridine | 3-[(2Z)-2-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;pyridine | 3-[(2Z)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;pyridine | 3-[(2Z)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonic acid;pyridine | 3-{2-[3-Allyl-4-oxo-2-thioxo-thiazolidin-(5Z)-ylidene]-benzothiazol-3-yl}-propane-1-sulfonic acid | CHEMBL514495 | MLS000031372 | SMR000009037 | cid_6398896
Type:
Small organic molecule
Emp. Form.:
C16H16N2O4S4
Mol. Mass.:
428.569
SMILES:
OS(=O)(=O)CCCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Structure:
Search PDB for entries with ligand similarity: