Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50070643
Substrate
n/a
Meas. Tech.
ChEBML_30791
Ki
1±n/a nM
Citation
 Curtis, MA; Varkhedkar, V; Pragnacharyulu, PV; Abushanab, E Adenosine deaminase inhibitors. Synthesis and biological evaluation of aralkyladenines (ARADS). Bioorg Med Chem Lett 8:1639-42 (1999) [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:
BDBM50070643
Synonyms:
(2S,3R)-3-(6-Amino-purin-9-yl)-5-m-tolyl-pentan-2-ol | 3-(6-Amino-purin-9-yl)-5-m-tolyl-pentan-2-ol | CHEMBL418074
Type:
Small organic molecule
Emp. Form.:
C17H21N5O
Mol. Mass.:
311.3815
SMILES:
C[C@H](O)[C@@H](CCc1cccc(C)c1)n1cnc2c(N)ncnc12
Structure:
Search PDB for entries with ligand similarity: