Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM16596
Substrate
BDBM16593
Meas. Tech.
MMP Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
8±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 
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:
BDBM16596
Synonyms:
4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide | CHEMBL514794 | MMP Inhibitor, 4 | N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide | Pyrimidine Dicarboxamide Inhibitor, 4
Type:
Small organic molecule
Emp. Form.:
C22H20F2N4O2
Mol. Mass.:
410.4166
SMILES:
Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM16593
Synonyms:
(7-methoxycoumarin-4-yl) acetyl-pro-leu-gly-leu-3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl-ala-arg-NH2 | MMP Fluorogenic Substrate
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: