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Target
Collagenase 3
Ligand
BDBM28469
Substrate
n/a
Meas. Tech.
ChEMBL_579100 (CHEMBL1062302)
IC50
120±n/a nM
Citation
 Li, W; Li, J; Wu, Y; Rancati, F; Vallese, S; Raveglia, L; Wu, J; Hotchandani, R; Fuller, N; Cunningham, K; Morgan, P; Fish, S; Krykbaev, R; Xu, X; Tam, S; Goldman, SJ; Abraham, W; Williams, C; Sypek, J; Mansour, TS Identification of an orally efficacious matrix metalloprotease 12 inhibitor for potential treatment of asthma. J Med Chem 52:5408-19 (2009) [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:
BDBM28469
Synonyms:
(2S)-2-({12-[(methoxycarbonyl)amino]-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-5-}sulfonamido)-3-methylbutanoic acid | dibenzofuran (DBF) scaffold, (S)-14
Type:
Small organic molecule
Emp. Form.:
C19H20N2O7S
Mol. Mass.:
420.436
SMILES:
COC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
Structure:
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