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Target
Collagenase 3
Ligand
BDBM50098274
Substrate
n/a
Meas. Tech.
ChEMBL_106465 (CHEMBL858330)
IC50
114.82±n/a nM
Citation
 Sarma, JA; Rambabu, G; Srikanth, K; Raveendra, D; Vithal, M Analogue based design of MMP-13 (Collagenase-3) inhibitors. Bioorg Med Chem Lett 12:2689-93 (2002) [PubMed]
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:
BDBM50098274
Synonyms:
2-[4-(4-Methoxy-phenylethynyl)-benzenesulfonylamino]-6-morpholin-4-yl-hex-4-ynoic acid | CHEMBL10431
Type:
Small organic molecule
Emp. Form.:
C25H26N2O6S
Mol. Mass.:
482.549
SMILES:
COc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)NC(CC#CCN1CCOCC1)C(O)=O
Structure:
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