Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM32370
Substrate
n/a
Meas. Tech.
ChEMBL_702790 (CHEMBL1655233)
Ki
89500±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:
BDBM32370
Synonyms:
adenosine-derived inhibitor (Grp78), 2 | adenosine-derived inhibitor, 4
Type:
Small organic molecule
Emp. Form.:
C10H14N6O4
Mol. Mass.:
282.256
SMILES:
Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Structure:
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