Reaction Details Report a problem with these data
Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM26810
Substrate
TACE substrate peptide
Meas. Tech.
Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
1.0±n/a nM
Citation
 Ott, GR; Asakawa, N; Liu, RQ; Covington, MB; Qian, M; Vaddi, K; Newton, RC; Trzaskos, JM; Christ, DD; Galya, L; Scholz, T; Marshall, W; Duan, JJ Alpha,Beta-cyclic-beta-benzamido hydroxamic acids: Novel oxaspiro[4.4]nonane templates for the discovery of potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). Bioorg Med Chem Lett 18:1288-92 (2008) [PubMed]  Article 
Target
Name:
Disintegrin and metalloproteinase domain-containing protein 17
Synonyms:
A disintegrin and metalloproteinase domain 17 | ADA17_PIG | ADAM 17 | ADAM17 | Snake venom-like protease | TACE | TNF-alpha-Converting Enzyme
Type:
Metalloprotease
Mol. Mass.:
12197.99
Organism:
Sus scrofa (pig)
Description:
Partially purified TACE was obtained from porcine spleen.
Residue:
112
Sequence:
MLREQFSFDIAEEASKVCLAHLFTYQDFDMGTLGLAYVGSPRANSHGGVCPKAYYSPIGKKNIYLNSGLTSTKNYGKTILTKEADLVTTHELGHNFGAEHDPDGLAECAPNE
  
Inhibitor
Name:
BDBM26810
Synonyms:
(5S,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl)methoxy]benzene}-1-oxaspiro[4.4]nonane-7,8-diamido | spiroether beta-amino hydroxamate , 19
Type:
Small organic molecule
Emp. Form.:
C27H29N3O5
Mol. Mass.:
475.5363
SMILES:
Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1 |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:
MCAPRLEALAGLNALAVALDPAARGSERSERSERARGNH