Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50009525
Substrate
n/a
Meas. Tech.
ChEMBL_702790 (CHEMBL1655233)
Ki
54500±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:
BDBM50009525
Synonyms:
2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado | 2-[6-Amino-2-(2-cyclopentyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol | CHEMBL285819
Type:
Small organic molecule
Emp. Form.:
C10H12ClN5O4
Mol. Mass.:
301.686
SMILES:
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Structure:
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