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Target
Collagenase 3
Ligand
BDBM50450407
Substrate
n/a
Meas. Tech.
ChEMBL_1742465 (CHEMBL4158215)
IC50
8.4±n/a nM
Citation
 Fuerst, R; Yong Choi, J; Knapinska, AM; Smith, L; Cameron, MD; Ruiz, C; Fields, GB; Roush, WR Development of matrix metalloproteinase-13 inhibitors - A structure-activity/structure-property relationship study. Bioorg Med Chem 26:4984-4995 (2018) [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:
BDBM50450407
Synonyms:
CHEMBL4164676
Type:
Small organic molecule
Emp. Form.:
C24H23FN4O4S2
Mol. Mass.:
514.592
SMILES:
CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3sccc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Structure:
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