Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine deaminase
LigandBDBM50451177
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1744716 (CHEMBL4179226)
Ki 1.1±n/a nM
Citation Kandalkar, SRRamaiah, PAJoshi, MWavhal, AWaman, YRaje, AATambe, AAnsari, SDe, SPalle, VPMookhtiar, KADeshpande, AMBarawkar, DA Modifications of flexible nonyl chain and nucleobase head group of (+)-erythro-9-(2's-hydroxy-3's-nonyl)adenine [(+)-EHNA] as adenosine deaminase inhibitors. Bioorg Med Chem25:5799-5819 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adenosine deaminase
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:
MAQTPAFNKPKVELHVHLDGAIKPETILYYGRKRGIALPADTPEELQNIIGMDKPLSLPE
FLAKFDYYMPAIAGCREAVKRIAYEFVEMKAKDGVVYVEVRYSPHLLANSKVEPIPWNQA
EGDLTPDEVVSLVNQGLQEGERDFGVKVRSILCCMRHQPSWSSEVVELCKKYREQTVVAI
DLAGDETIEGSSLFPGHVKAYAEAVKSGVHRTVHAGEVGSANVVKEAVDTLKTERLGHGY
HTLEDATLYNRLRQENMHFEVCPWSSYLTGAWKPDTEHPVVRFKNDQVNYSLNTDDPLIF
KSTLDTDYQMTKNEMGFTEEEFKRLNINAAKSSFLPEDEKKELLDLLYKAYGMPSPASAE
QCL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50451177
n/a
NameBDBM50451177
Synonyms:CHEMBL4210264
TypeSmall organic molecule
Emp. Form.C17H18F3N5O
Mol. Mass.365.3529
SMILESC[C@H](O)[C@@H](CCc1cccc(c1)C(F)(F)F)n1cnc2c(N)ncnc12 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: