Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM28393
Substrate
n/a
Meas. Tech.
ChEMBL_302877 (CHEMBL828791)
Ki
1.14±n/a nM
Citation
 Da Settimo, F; Primofiore, G; La Motta, C; Taliani, S; Simorini, F; Marini, AM; Mugnaini, L; Lavecchia, A; Novellino, E; Tuscano, D; Martini, C Novel, highly potent adenosine deaminase inhibitors containing the pyrazolo[3,4-d]pyrimidine ring system. Synthesis, structure-activity relationships, and molecular modeling studies. J Med Chem 48:5162-74 (2005) [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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