Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50087413
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:
BDBM50087413
Synonyms:
2-Benzyl-2-[4-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-malonic acid diethyl ester (0.5H2O) | CHEMBL286464
Type:
Small organic molecule
Emp. Form.:
C24H32N4O5
Mol. Mass.:
456.5347
SMILES:
CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1)C(=O)OCC |c:18|
Structure:
Search PDB for entries with ligand similarity: