Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetInterstitial collagenase
LigandBDBM11883
Substrate/CompetitorMMP Fluorogenic Peptide Substrate
Meas. Tech.Enzyme Inhibition Assay
Ki>10000±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
 
Interstitial collagenase
Name:Interstitial collagenase
Synonyms:Fibroblast collagenase | MMP1 | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1)
Type:Enzyme
Mol. Mass.:54010.26
Organism:Homo sapiens (Human)
Description:
Residue:469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPV
VEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIEN
YTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGN
LAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSY
TFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDR
FYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGY
PKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFP
GIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM11883
NameBDBM11883
Synonyms:1-Cyclopropyl-N-hydroxy-4-{[4-(phenylthio)phenyl]-sulfonyl}piperidine-4-carboxamide Hydrochloride | 1-cyclopropyl-N-hydroxy-4-{[4-(phenylsulfanyl)benzene]sulfonyl}piperidine-4-carboxamide hydrochloride | alpha-sulfone 35d
TypeSmall organic molecule
Emp. Form.C21H24N2O4S2
Mol. Mass.432.556
SMILESONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Sc2ccccc2)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