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Target
Adenosine deaminase
Ligand
BDBM50096174
Substrate
n/a
Meas. Tech.
ChEMBL_30808 (CHEMBL645083)
Ki
530±n/a nM
Citation
 Kasibhatla, SR; Bookser, BC; Xiao, W; Erion, MD AMP deaminase inhibitors. 5. Design, synthesis, and SAR of a highly potent inhibitor series. J Med Chem 44:613-8 (2001) [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:
BDBM50096174
Synonyms:
1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid ethyl ester | CHEMBL157669
Type:
Small organic molecule
Emp. Form.:
C21H25BrN4O3
Mol. Mass.:
461.352
SMILES:
CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Br |c:18|
Structure:
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