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Target
Collagenase 3
Ligand
BDBM16595
Substrate
n/a
Meas. Tech.
ChEMBL_559513 (CHEMBL1018986)
IC50
72±n/a nM
Citation
 Carrascal, N; Rizzo, RC Calculation of binding free energies for non-zinc chelating pyrimidine dicarboxamide inhibitors with MMP-13. Bioorg Med Chem Lett 19:47-50 (2008) [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:
BDBM16595
Synonyms:
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide | CHEMBL511942 | N,N -bis(3-methylbenzyl)pyrimidine-4,6-dicarboxamide | Pyrimidine Dicarboxamide Inhibitor, 3
Type:
Small organic molecule
Emp. Form.:
C22H22N4O2
Mol. Mass.:
374.4357
SMILES:
Cc1cccc(CNC(=O)c2cc(ncn2)C(=O)NCc2cccc(C)c2)c1
Structure:
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