Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM16595
Substrate
BDBM16593
Meas. Tech.
MMP Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
72±n/a nM
Citation
Engel, CK; Pirard, B; Schimanski, S; Kirsch, R; Habermann, J; Klingler, O; Schlotte, V; Weithmann, KU; Wendt, KU Structural basis for the highly selective inhibition of MMP-13. Chem Biol 12:181-9 (2005) [PubMed] Article
More Info.:
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