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Target
Collagenase 3
Ligand
BDBM50268309
Substrate
n/a
Meas. Tech.
ChEMBL_1704681 (CHEMBL4055914)
Ki
0.590000±n/a nM
Citation
 Mahasenan, KV; Bastian, M; Gao, M; Frost, E; Ding, D; Zorina-Lichtenwalter, K; Jacobs, J; Suckow, MA; Schroeder, VA; Wolter, WR; Chang, M; Mobashery, S Exploitation of Conformational Dynamics in Imparting Selective Inhibition for Related Matrix Metalloproteinases. ACS Med Chem Lett 8:654-659 (2017) [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:
BDBM50268309
Synonyms:
CHEMBL4088060
Type:
Small organic molecule
Emp. Form.:
C22H22N4O4S
Mol. Mass.:
438.499
SMILES:
O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2sc3CCCCCCc3c2c(=O)[nH]1
Structure:
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