Reaction Details  Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50099681
Substrate
n/a
Meas. Tech.
ChEMBL_30935 (CHEMBL647744)
Ki
315680±n/a nM
Citation
 Hakimelahi, GH; Mei, NW; Moosavi-Movahedi, AA; Davari, H; Hakimelahi, S; King, KY; Hwu, JR; Wen, YS Synthesis and biological evaluation of purine-containing butenolides. J Med Chem 44:1749-57 (2001) [PubMed]
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:
BDBM50099681
Synonyms:
5-[2-(6-Amino-purin-9-yl)-ethylidene]-3,4-dimethoxy-5H-furan-2-one | CHEMBL301576
Type:
Small organic molecule
Emp. Form.:
C13H13N5O4
Mol. Mass.:
303.2734
SMILES:
COC1=C(OC)\C(OC1=O)=C\Cn1cnc2c(N)ncnc12 |c:2|
Structure:
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