Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50034908
Substrate
n/a
Meas. Tech.
ChEBML_30789
Ki
10±n/a nM
Citation
 Wang, L; Hosmane, RS A unique ring-expanded acyclic nucleoside analogue that inhibits both adenosine deaminase (ADA) and guanine deaminase (GDA; guanase): synthesis and enzyme inhibition studies of 4,6-diamino-8H-1-hydroxyethoxymethyl-8-iminoimidazo[4,5-e][1,3]diazepine. Bioorg Med Chem Lett 11:2893-6 (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:
BDBM50034908
Synonyms:
(2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2R,3S)-3-(6-Amino-purin-9-yl)-nonan-2-ol | (2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol | (EHNA)3-(6-Amino-purin-9-yl)-nonan-2-ol | 3-(6-Amino-purin-9-yl)-nonan-2-ol | 3-(6-Amino-purin-9-yl)-nonan-2-ol(EHNA) | CHEMBL50378
Type:
Small organic molecule
Emp. Form.:
C14H23N5O
Mol. Mass.:
277.3653
SMILES:
CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: