Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50451173
Substrate
n/a
Meas. Tech.
ChEMBL_1744716 (CHEMBL4179226)
Ki
2.2±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:
BDBM50451173
Synonyms:
CHEMBL4214254
Type:
Small organic molecule
Emp. Form.:
C18H21N5O3
Mol. Mass.:
355.391
SMILES:
COC(=O)c1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1 |r|
Structure:
Search PDB for entries with ligand similarity: