Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50037904
Substrate
n/a
Meas. Tech.
ChEMBL_30936 (CHEMBL646740)
Ki
15.8±n/a nM
Citation
 Vargeese, C; Sarma, MS; Pragnacharyulu, PV; Abushanab, E; Li, SY; Stoeckler, JD Adenosine deaminase inhibitors. Synthesis and biological evaluation of putative metabolites of (+)-erythro-9-(2S-hydroxy-3R-nonyl)adenine. J Med Chem 37:3844-9 (1994) [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:
BDBM50037904
Synonyms:
6-Amino-8,9-dihydroxy-9-[(R)-1-((S)-1-hydroxy-ethyl)-heptyl]-9H-purin-9-ium | CHEMBL332871
Type:
Small organic molecule
Emp. Form.:
C14H23N5O3
Mol. Mass.:
309.3641
SMILES:
CCCCCCC(C(C)O)[N+]1([O-])C([O-])=[NH+]c2c1ncnc2N |c:13|
Structure:
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