Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50001103
Substrate
n/a
Meas. Tech.
ChEMBL_30812 (CHEMBL645087)
Ki
>800000±n/a nM
Citation
 Hakimelahi, GH; Ly, TW; Moosavi-Movahedi, AA; Jain, ML; Zakerinia, M; Davari, H; Mei, HC; Sambaiah, T; Moshfegh, AA; Hakimelahi, S Design, synthesis, and biological evaluation of novel nucleoside and nucleotide analogues as agents against DNA viruses and/or retroviruses. J Med Chem 44:3710-20 (2001) [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:
BDBM50001103
Synonyms:
(2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic acid | (PMEA)[2-(6-Amino-purin-9-yl)-ethoxymethyl]-phosphonic acid | 9-(2-(phosphonomethoxy)ethyl)adenine | 9-[(2-phosphonylmethoxy)ethyl]adenine | 9-[2-(phosphonomethoxy)ethyl]adenine | 9-[2-phosphonomethoxyethyl]adenine | 9-[3-(Phosphonomethoxy)ethyl]adenine (PMEA) | ADEFOVIR | CHEMBL484 | GS-0393 | US10071110, Compound Adefovir | [2-(6-Amino-purin-9-yl)-ethoxymethyl]-phosphonic acid | [2-(6-Amino-purin-9-yl)-ethoxymethyl]-phosphonic acid(PMEA) | [2-(6-amino-9H-purin-9-yl)ethoxy]methylphosphonic acid | {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID
Type:
Small organic molecule
Emp. Form.:
C8H12N5O4P
Mol. Mass.:
273.1857
SMILES:
Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Structure:
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