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TargetTNF-alpha-Converting Enzyme
LigandBDBM23464
Substrate/CompetitorBDBM23453
Meas. Tech.TACE Inhibition Assay
pH7.3±n/a
Temperature295.15±n/a K
Ki 18±n/a nM
Citation Zhu, ZMazzola, RSinning, LMcKittrick, BNiu, XLundell, DSun, JOrth, PGuo, ZMadison, VIngram, RBeyer, BM Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors: Part I--discovery of two binding modes. J Med Chem51:725-36 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
TNF-alpha-Converting Enzyme
Name:TNF-alpha-Converting Enzyme
Synonyms:A disintegrin and metalloproteinase domain 17 | ADAM 17 | CD156b antigen | Snake venom-like protease
Type:Single-pass type I membrane protein; metalloprotease
Mol. Mass.:29695.98
Organism:Homo sapiens (human)
Description:The catalytic domain of recombinant human TNF-converting enzyme (residues 215-477) with two mutations (S266A and N452Q) and a 6xHis was purified from the baculovirus/Hi5 cells expression system.
Residue:263
Sequence:
RADPDPMKNTCKLLVVADHRFYRYMGRGEESTTTNYLIELIDRVDDIYRNTAWDNAGFKG
YGIQIEQIRILKSPQEVKPGEKHYNMAKSYPNEEKDAWDVKMLLEQFSFDIAEEASKVCL
AHLFTYQDFDMGTLGLAYVGSPRANSHGGVCPKAYYSPVGKKNIYLNSGLTSTKNYGKTI
LTKEADLVTTHELGHNFGAEHDPDGLAECAPNEDQGGKYVMYPIAVSGDHENNKMFSQCS
KQSIYKTIESKAQECFQERSNKV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM23464
NameBDBM23464
Synonyms:hydroxamate deriv., 56 | methyl (1R,2R)-2-(hydroxycarbamoyl)-1-(3-{[4-(trifluoromethyl)phenyl]methoxy}phenyl)cyclopropane-1-carboxylate
TypeSmall organic molecule
Emp. Form.C20H18F3NO5
Mol. Mass.409.3558
SMILESCOC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2ccc(cc2)C(F)(F)F)c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
BDBM23453
NameBDBM23453
Synonyms:MCA-Pro-Leu-Ala-Gln-Ala-Val-Arg-Ser-Ser-Ser-Dpa-Arg-NH2. MCA, (7-methoxycoumarin-4-yl)acetyl. Dpa, N-3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl. | TACE substrate peptide
TypeInternally quenched peptide
Emp. Form.n/a
Mol. Mass.n/a
SMILESn/a
Structure