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Target
Adenosine deaminase
Ligand
BDBM50087329
Substrate
n/a
Meas. Tech.
ChEMBL_30801 (CHEMBL645077)
Ki
>7500±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:
BDBM50087329
Synonyms:
2-(3-Bromo-phenyl)-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-hexanoic acid 0.75H2O.0.36CH3CO2H | CHEMBL38002
Type:
Small organic molecule
Emp. Form.:
C18H21BrN4O3
Mol. Mass.:
421.288
SMILES:
OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1cccc(Br)c1 |c:4|
Structure:
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