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Target
Collagenase 3
Ligand
BDBM50320412
Substrate
n/a
Meas. Tech.
ChEMBL_634107 (CHEMBL1118891)
IC50
0.600000±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 | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13) | MMP13_HUMAN | MMP13
Type:
Enzyme
Mol. Mass.:
53808.06
Organism:
Human
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM50320412
Synonyms:
N-hydroxy-4-(4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide | CHEMBL1084238
Type:
Small organic molecule
Emp. Form.:
C23 H26 F3 N3 O5 S
Mol. Mass.:
513.52984
SMILES:
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Structure:
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