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Target
Adenosine deaminase
Ligand
BDBM50087404
Substrate
n/a
Meas. Tech.
ChEMBL_30793 (CHEMBL645069)
Ki
>7500±n/a nM
Citation
 Bookser, BC; Kasibhatla, SR; Erion, MD AMP deaminase inhibitors. 4. Further N3-substituted coformycin aglycon analogues: N3-alkylmalonates as ribose 5'-monophosphate mimetics. J Med Chem 43:1519-24 (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:
BDBM50087404
Synonyms:
2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-2-methyl-malonic acid monobenzyl ester (1.33H2O) | CHEMBL37278
Type:
Small organic molecule
Emp. Form.:
C21H26N4O5
Mol. Mass.:
414.4549
SMILES:
CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)OCc1ccccc1 |c:14|
Structure:
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