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Target
Adenosine deaminase
Ligand
BDBM50087317
Substrate
n/a
Meas. Tech.
ChEMBL_7178 (CHEMBL620222)
Ki
450±n/a nM
Citation
 Bookser, BC; Kasibhatla, SR; Appleman, JR; Erion, MD AMP deaminase inhibitors. 2. Initial discovery of a non-nucleotide transition-state inhibitor series. J Med Chem 43:1495-507 (2000) [PubMed]  Article 
Target
Name:
Adenosine deaminase
Synonyms:
ADA | ADA_BOVIN | Adenosine aminohydrolase
Type:
Enzyme
Mol. Mass.:
40910.44
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
363
Sequence:
MAQTPAFNKPKVELHVHLDGAIKPETILYYGRKRGIALPADTPEELQNIIGMDKPLSLPEFLAKFDYYMPAIAGCREAVKRIAYEFVEMKAKDGVVYVEVRYSPHLLANSKVEPIPWNQAEGDLTPDEVVSLVNQGLQEGERDFGVKVRSILCCMRHQPSWSSEVVELCKKYREQTVVAIDLAGDETIEGSSLFPGHVKAYAEAVKSGVHRTVHAGEVGSANVVKEAVDTLKTERLGHGYHTLEDATLYNRLRQENMHFEVCPWSSYLTGAWKPDTEHPVVRFKNDQVNYSLNTDDPLIFKSTLDTDYQMTKNEMGFTEEEFKRLNINAAKSSFLPEDEKKELLDLLYKAYGMPSPASAEQCL
  
Inhibitor
Name:
BDBM50087317
Synonyms:
3-Octyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diazepin-8-ol 0.25H2O | CHEMBL290949
Type:
Small organic molecule
Emp. Form.:
C14H24N4O
Mol. Mass.:
264.3666
SMILES:
CCCCCCCCn1cnc2C(O)CNC=Nc12 |c:16|
Structure:
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