Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM11863
Substrate
MMP Fluorogenic Peptide Substrate
Meas. Tech.
Enzyme Inhibition Assay
Ki
0.6±n/a nM
Citation
 Becker, DP; Villamil, CI; Barta, TE; Bedell, LJ; Boehm, TL; Decrescenzo, GA; Freskos, JN; Getman, DP; Hockerman, S; Heintz, R; Howard, SC; Li, MH; McDonald, JJ; Carron, CP; Funckes-Shippy, CL; Mehta, PP; Munie, GE; Swearingen, CA Synthesis and structure-activity relationships of beta- and alpha-piperidine sulfone hydroxamic acid matrix metalloproteinase inhibitors with oral antitumor efficacy. J Med Chem 48:6713-30 (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:
BDBM11863
Synonyms:
4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N-hydroxyoxane-4-carboxamide | CHEMBL440498 | RS 130830 | RS-130,830 | alpha-tetrahydropyran beta-sulfone 1B
Type:
Small organic molecule
Emp. Form.:
C19H20ClNO6S
Mol. Mass.:
425.883
SMILES:
ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
MMP Fluorogenic Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2468.31
Organism:
n/a
Description:
n/a
Residue:
23
Sequence:
MCAPRLEGLYLEDPAALAARGNH