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Target
Collagenase 3
Ligand
BDBM50204003
Substrate
n/a
Meas. Tech.
ChEMBL_441981 (CHEMBL891125)
IC50
120000±n/a nM
Citation
 Vidal, A; Sabatini, M; Rolland-Valognes, G; Renard, P; Madelmont, JC; Mounetou, E Synthesis and in vitro evaluation of targeted tetracycline derivatives: effects on inhibition of matrix metalloproteinases. Bioorg Med Chem 15:2368-74 (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:
BDBM50204003
Synonyms:
1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-naphthacene-4-trimethylammonium iodide | CHEMBL242073
Type:
Small organic molecule
Emp. Form.:
C23H27N2O8
Mol. Mass.:
459.4685
SMILES:
C[C@]1(O)C2CC3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C
Structure:
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