Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50335308
Substrate
n/a
Meas. Tech.
ChEMBL_702791 (CHEMBL1655234)
Ki
37400±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:
BDBM50335308
Synonyms:
(2R,3R,4S,5R)-2-(2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | CHEMBL1651363
Type:
Small organic molecule
Emp. Form.:
C10H11ClN4O4
Mol. Mass.:
286.672
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cnc(Cl)nc12 |r|
Structure:
Search PDB for entries with ligand similarity: