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Target
Adenosine deaminase
Ligand
BDBM50070645
Substrate
n/a
Meas. Tech.
ChEMBL_30800 (CHEMBL645076)
Ki
0.950±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:
BDBM50070645
Synonyms:
(2S,3R)-3-(6-Amino-purin-9-yl)-8-phenyl-octan-2-ol | 3-(6-Amino-purin-9-yl)-8-phenyl-octan-2-ol | CHEMBL43742
Type:
Small organic molecule
Emp. Form.:
C19H25N5O
Mol. Mass.:
339.4347
SMILES:
C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc12
Structure:
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