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Target
Adenosine deaminase
Ligand
BDBM50087324
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:
BDBM50087324
Synonyms:
2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-methyl-hexanoic acid ethyl ester | CHEMBL37641
Type:
Small organic molecule
Emp. Form.:
C22H29BrN4O3
Mol. Mass.:
477.395
SMILES:
CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)Cc1cccc(Br)c1 |c:19|
Structure:
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