Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50094662
Substrate
n/a
Meas. Tech.
ChEMBL_30800 (CHEMBL645076)
Ki
93.10±n/a nM
Citation
 Pragnacharyulu, PV; Varkhedkar, V; Curtis, MA; Chang, IF; Abushanab, E Adenosine deaminase inhibitors: synthesis and biological evaluation of unsaturated, aromatic, and oxo derivatives of (+)-erythro-9-(2'S-hydroxy-3'R-nonyl)adenine [(+)-EHNA]. J Med Chem 43:4694-700 (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:
BDBM50094662
Synonyms:
3-(6-Amino-purin-9-yl)-4-phenethyloxy-butan-2-ol
Type:
Small organic molecule
Emp. Form.:
C17H21N5O2
Mol. Mass.:
327.3809
SMILES:
C[C@H](O)C(COCCc1ccccc1)n1cnc2c(N)ncnc12
Structure:
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