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Target
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
Ligand
BDBM23455
Substrate
BDBM23453
Meas. Tech.
TACE Inhibition Assay
pH
7.3±n/a
Temperature
295.15±n/a K
Ki
700±n/a nM
Citation
 Zhu, Z; Mazzola, R; Sinning, L; McKittrick, B; Niu, X; Lundell, D; Sun, J; Orth, P; Guo, Z; Madison, V; Ingram, R; Beyer, BM Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors: Part I--discovery of two binding modes. J Med Chem 51:725-36 (2008) [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:
BDBM23455
Synonyms:
(1R,2R)-1-N-hydroxy-2-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}cyclopropane-1,2-dicarboxamide | hydroxamate deriv., 29
Type:
Small organic molecule
Emp. Form.:
C22H21N3O4
Mol. Mass.:
391.4198
SMILES:
Cc1cc(COc2cccc(c2)[C@]2(C[C@H]2C(=O)NO)C(N)=O)c2ccccc2n1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM23453
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
Type:
Internally quenched peptide
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: