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Target
Collagenase 3
Ligand
BDBM50320408
Substrate
n/a
Meas. Tech.
ChEMBL_634107 (CHEMBL1118891)
IC50
9±n/a nM
Citation
 Kolodziej, SA; Hockerman, SL; Boehm, TL; Carroll, JN; DeCrescenzo, GA; McDonald, JJ; Mischke, DA; Munie, GE; Fletcher, TR; Rico, JG; Stehle, NW; Swearingen, C; Becker, DP Orally bioavailable dual MMP-1/MMP-14 sparing, MMP-13 selective alpha-sulfone hydroxamates. Bioorg Med Chem Lett 20:3557-60 (2010) [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:
BDBM50320408
Synonyms:
4-(4-(4-(2-chlorophenyl)piperazin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide | CHEMBL1083907
Type:
Small organic molecule
Emp. Form.:
C22H26ClN3O5S
Mol. Mass.:
479.977
SMILES:
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1Cl
Structure:
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