Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCollagenase 3
LigandBDBM11875
Substrate/CompetitorMMP Fluorogenic Peptide Substrate
Meas. Tech.Enzyme Inhibition Assay
Ki 0.3±n/a nM
Citation Becker, DPVillamil, CIBarta, TEBedell, LJBoehm, TLDecrescenzo, GAFreskos, JNGetman, DPHockerman, SHeintz, RHoward, SCLi, MHMcDonald, JJCarron, CPFunckes-Shippy, CLMehta, PPMunie, GESwearingen, CA Synthesis and structure-activity relationships of beta- and alpha-piperidine sulfone hydroxamic acid matrix metalloproteinase inhibitors with oral antitumor efficacy. J Med Chem48:6713-30 (2005) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Collagenase 3
Name:Collagenase 3
Synonyms:MMP-13 | 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:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM11875
NameBDBM11875
Synonyms:1-Cyclopropyl-N-hydroxy-4-{[4-(phenoxyphenyl]-sulfonyl}piperidine-4-carboxamide Hydrochloride | 1-cyclopropyl-N-hydroxy-4-[(4-phenoxybenzene)sulfonyl]piperidine-4-carboxamide hydrochloride | alpha-sulfone 27e
TypeSmall organic molecule
Emp. Form.C21H24N2O5S
Mol. Mass.416.491
SMILESONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
MMP Fluorogenic Peptide Substrate
Name:MMP Fluorogenic Peptide Substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:2468.31
Organism:n/a
Description:n/a
Residue:23
Sequence:
MCA-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2