Target
Collagenase 3
Ligand
BDBM256131
Substrate
n/a
Meas. Tech.
Activity Assay
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
1500±n/a nM
Comments
extracted
Citation
 Ferdinandy, PCsont, TBCsonka, CKedvesné Kupai, KKovács, LKis-Tamás, ATakács, FTKónya, DMedgyes, GCseh, SHajdú, ILörincz, ZDormán, GGörbe, A Inhibitors of matrix metalloproteinases US Patent  US9487462 Publication Date 11/8/2016 
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:
BDBM256131
Synonyms:
US9487462, 13
Type:
Small organic molecule
Emp. Form.:
C25H23N3O3S
Mol. Mass.:
445.533
SMILES:
OC(=O)c1csc(CN(Cc2ccncc2)Cc2ccc(OCc3ccccc3)cc2)n1
Structure:
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