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Target
Collagenase 3
Ligand
BDBM50359724
Substrate
n/a
Meas. Tech.
ChEMBL_791981 (CHEMBL1930041)
IC50
120000±n/a nM
Citation
 La Pietra, V; Marinelli, L; Cosconati, S; Di Leva, FS; Nuti, E; Santamaria, S; Pugliesi, I; Morelli, M; Casalini, F; Rossello, A; La Motta, C; Taliani, S; Visse, R; Nagase, H; da Settimo, F; Novellino, E Identification of novel molecular scaffolds for the design of MMP-13 inhibitors: a first round of lead optimization. Eur J Med Chem 47:143-52 (2012) [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:
BDBM50359724
Synonyms:
CHEMBL1927186
Type:
Small organic molecule
Emp. Form.:
C17H13NO5S2
Mol. Mass.:
375.419
SMILES:
COc1ccc(cc1)-c1ccc(\C=C2\SC(=S)N(CC(O)=O)C2=O)o1
Structure:
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