Reaction Details  Report a problem with these data
Target
Collagenase 3
Ligand
BDBM27877
Substrate
MMP-13 Fluorogenic Peptide Substrate
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants IC50
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
<25±n/a nM
Citation
 Pochetti, G; Montanari, R; Gege, C; Chevrier, C; Taveras, AG; Mazza, F Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) (dagger). J Med Chem 52:1040-9 (2009) [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:
BDBM27877
Synonyms:
N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-3,11,11-trioxo-8,1-dithia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-triene-5-carboxamide | thiopyranothienopyrimidine, 1
Type:
Small organic molecule
Emp. Form.:
C24H21N5O6S2
Mol. Mass.:
539.583
SMILES:
Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
MMP-13 Fluorogenic Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2634.51
Organism:
n/a
Description:
Cha = L-cyclohexylalanine; Dpa = 3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl; Nva = L-norvaline.
Residue:
25
Sequence:
MCAPRCHAGLYNVAHISALADPANH