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Target
Adenosine deaminase
Ligand
BDBM50070644
Substrate
n/a
Meas. Tech.
ChEMBL_30800 (CHEMBL645076)
Ki
133±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:
BDBM50070644
Synonyms:
(2S,3R)-3-(6-Amino-purin-9-yl)-4-(3-ethyl-phenyl)-butan-2-ol | 3-(6-Amino-purin-9-yl)-4-(3-ethyl-phenyl)-butan-2-ol | CHEMBL43226
Type:
Small organic molecule
Emp. Form.:
C17H21N5O
Mol. Mass.:
311.3815
SMILES:
CCc1cccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1
Structure:
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