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Target
Collagenase 3
Ligand
BDBM50126615
Substrate
n/a
Meas. Tech.
ChEBML_106642
IC50
9±n/a nM
Citation
 Zask, A; Gu, Y; Albright, JD; Du, X; Hogan, M; Levin, JI; Chen, JM; Killar, LM; Sung, A; DiJoseph, JF; Sharr, MA; Roth, CE; Skala, S; Jin, G; Cowling, R; Mohler, KM; Barone, D; Black, R; March, C; Skotnicki, JS Synthesis and SAR of bicyclic heteroaryl hydroxamic acid MMP and TACE inhibitors. Bioorg Med Chem Lett 13:1487-90 (2003) [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:
BDBM50126615
Synonyms:
4-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-hydroxy-8-methoxyquinoline-3-carboxamide | 4-[(4-But-2-ynyloxy-benzenesulfonyl)-methyl-amino]-8-methoxy-quinoline-3-carboxylic acid hydroxyamide | CHEMBL288671
Type:
Small organic molecule
Emp. Form.:
C22H21N3O6S
Mol. Mass.:
455.484
SMILES:
COc1cccc2c(N(C)S(=O)(=O)c3ccc(OCC#CC)cc3)c(cnc12)C(=O)NO
Structure:
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