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Target
Collagenase 3
Ligand
BDBM50240415
Substrate
n/a
Meas. Tech.
ChEMBL_1668165 (CHEMBL4018053)
IC50
0.300000±n/a nM
Citation
 Ramsbeck, D; Hamann, A; Schlenzig, D; Schilling, S; Buchholz, M First insight into structure-activity relationships of selective meprin? inhibitors. Bioorg Med Chem Lett 27:2428-2431 (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:
BDBM50240415
Synonyms:
CHEMBL4078433
Type:
Small organic molecule
Emp. Form.:
C17H18N2O7S
Mol. Mass.:
394.399
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccc(c1)C(O)=O
Structure:
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