Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50335293
Substrate
n/a
Meas. Tech.
ChEMBL_702791 (CHEMBL1655234)
Ki
6600±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:
BDBM50335293
Synonyms:
(2R,3R,4S,5R)-2-(6-amino-2-(butylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | 2-(butylsulfanyl)adenosine | CHEMBL1233689
Type:
Small organic molecule
Emp. Form.:
C14H21N5O4S
Mol. Mass.:
355.413
SMILES:
CCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Structure:
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