Reaction Details Report a problem with these data
Target
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
Ligand
BDBM23456
Substrate
BDBM23453
Meas. Tech.
TACE Inhibition Assay
pH
7.3±n/a
Temperature
295.15±n/a K
Ki
11±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:
BDBM23456
Synonyms:
hydroxamate deriv., 44 | methyl (1R,2R)-1-{3-[(3,4-dichlorophenyl)methoxy]phenyl}-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C19H17Cl2NO5
Mol. Mass.:
410.248
SMILES:
COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 |r|