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Target
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
Ligand
BDBM26535
Substrate
TACE substrate peptide
Meas. Tech.
TACE Inhibition Assay
pH
7.3±n/a
Temperature
295.15±n/a K
Ki
94±n/a nM
Citation
 Guo, Z; Orth, P; Wong, SC; Lavey, BJ; Shih, NY; Niu, X; Lundell, DJ; Madison, V; Kozlowski, JA Discovery of novel spirocyclopropyl hydroxamate and carboxylate compounds as TACE inhibitors. Bioorg Med Chem Lett 19:54-7 (2009) [PubMed]  Article 
Target
Name:
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
Synonyms:
A disintegrin and metalloproteinase domain 17 | ADA17_HUMAN | ADAM 17 | ADAM17 | CD156b antigen | CSVP | Snake venom-like protease | TACE | TNF-alpha-Converting Enzyme
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:
RADPDPMKNTCKLLVVADHRFYRYMGRGEESTTTNYLIELIDRVDDIYRNTAWDNAGFKGYGIQIEQIRILKSPQEVKPGEKHYNMAKSYPNEEKDAWDVKMLLEQFSFDIAEEASKVCLAHLFTYQDFDMGTLGLAYVGSPRANSHGGVCPKAYYSPVGKKNIYLNSGLTSTKNYGKTILTKEADLVTTHELGHNFGAEHDPDGLAECAPNEDQGGKYVMYPIAVSGDHENNKMFSQCSKQSIYKTIESKAQECFQERSNKV
  
Inhibitor
Name:
BDBM26535
Synonyms:
(1S,3R)-6-{3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-methyl-4-oxo-5-azaspiro[2.4]heptane-1-carboxylic acid | carboxylate-spirocyclopropyl compound, 20
Type:
Small organic molecule
Emp. Form.:
C30H25FN2O4
Mol. Mass.:
496.5289
SMILES:
CN1C(C[C@@]2(C[C@@H]2C(O)=O)C1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)c(F)c1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
TACE substrate peptide
Synonyms:
n/a
Type:
Internally quenched peptide
Mol. Mass.:
4119.10
Organism:
n/a
Description:
MCA, (7-methoxycoumarin-4-yl)acetyl. Dpa, N-3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl.
Residue:
39
Sequence:
MCAPRLEALAGLNALAVALARGSERSERSERDPAARGNH