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Target
Collagenase 3
Ligand
BDBM40466
Substrate
n/a
Meas. Tech.
Dose-response biochemical assay for inhibitors of Matrix Metalloproteinase 13 (MMP13) activity
IC50
>39840±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:
BDBM40466
Synonyms:
1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one | 1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-one | 1-[[4-ethyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone | 1-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one | 1-{[4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-3,3-dimethyl-2-butanone | MLS000050871 | SMR000078566 | cid_936610
Type:
Small organic molecule
Emp. Form.:
C15H20N4OS
Mol. Mass.:
304.41
SMILES:
CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccn1
Structure:
Search PDB for entries with ligand similarity: