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Target
Collagenase 3
Ligand
BDBM50320442
Substrate
n/a
Meas. Tech.
ChEMBL_634118 (CHEMBL1119125)
IC50
9±n/a nM
Citation
 Kolodziej, SA; Hockerman, SL; DeCrescenzo, GA; McDonald, JJ; Mischke, DA; Munie, GE; Fletcher, TR; Stehle, N; Swearingen, C; Becker, DP MMP-13 selective isonipecotamide alpha-sulfone hydroxamates. Bioorg Med Chem Lett 20:3561-4 (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:
BDBM50320442
Synonyms:
CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-(4-(phenylcarbamoyl)piperidin-1-yl)phenylsulfonyl)piperidine-4-carboxamide
Type:
Small organic molecule
Emp. Form.:
C27H36N4O6S
Mol. Mass.:
544.663
SMILES:
COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Structure:
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