Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50335302
Substrate
n/a
Meas. Tech.
ChEMBL_702791 (CHEMBL1655234)
Ki
>100000±n/a nM
Citation
 Gillerman, I; Fischer, B Investigations into the origin of the molecular recognition of several adenosine deaminase inhibitors. J Med Chem 54:107-21 (2011) [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:
BDBM50335302
Synonyms:
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(8-methoxy-9H-purin-9-yl)tetrahydrofuran-3,4-diol | CHEMBL1651372
Type:
Small organic molecule
Emp. Form.:
C11H14N4O5
Mol. Mass.:
282.2527
SMILES:
COc1nc2cncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: