Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50451139
Substrate
n/a
Meas. Tech.
ChEMBL_1744716 (CHEMBL4179226)
Ki
1.8±n/a nM
Citation
 Kandalkar, SR; Ramaiah, PA; Joshi, M; Wavhal, A; Waman, Y; Raje, AA; Tambe, A; Ansari, S; De, S; Palle, VP; Mookhtiar, KA; Deshpande, AM; Barawkar, 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 Chem 25:5799-5819 (2017) [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:
BDBM50451139
Synonyms:
CHEMBL4204605
Type:
Small organic molecule
Emp. Form.:
C22H28N6O2
Mol. Mass.:
408.4967
SMILES:
C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)NC1CCCC1)n1cnc2c(N)ncnc12 |r|
Structure:
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