Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM28393
Substrate
n/a
Meas. Tech.
ChEMBL_1744716 (CHEMBL4179226)
Ki
2.2±n/a nM
Citation
 Kandalkar, SR; Ramaiah, PA; Joshi, M; Wavhal, A; Waman, Y; Raje, AA; Tambe, A; Ansari, S; De, S; Palle, VP; Mookhtiar, KA; Deshpande, AM; Barawkar, DA Modifications of flexible nonyl chain and nucleobase head group of (+)-erythro-9-(2's-hydroxy-3's-nonyl)adenine [(+)-EHNA] as adenosine deaminase inhibitors. Bioorg Med Chem 25:5799-5819 (2017) [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:
BDBM28393
Synonyms:
(+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol | CHEMBL296435
Type:
Small organic molecule
Emp. Form.:
C14H23N5O
Mol. Mass.:
277.3653
SMILES:
CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r|
Structure:
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