Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50003609
Substrate
n/a
Meas. Tech.
ChEMBL_30784 (CHEMBL645061)
Ki
56±n/a nM
Citation
 Harriman, GC; Poirot, AF; Abushanab, E; Midgett, RM; Stoeckler, JD Adenosine deaminase inhibitors. Synthesis and biological evaluation of C1' and nor-C1' derivatives of (+)-erythro-9-(2(S)-hydroxy-3(R)-nonyl)adenine. J Med Chem 35:4180-4 (1992) [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:
BDBM50003609
Synonyms:
3-(6-Amino-purin-9-yl)-nonane-1,2-diol | CHEMBL132135
Type:
Small organic molecule
Emp. Form.:
C14H23N5O2
Mol. Mass.:
293.3647
SMILES:
CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)ncnc12
Structure:
Search PDB for entries with ligand similarity: