Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50096167
Substrate
n/a
Meas. Tech.
ChEMBL_30808 (CHEMBL645083)
Ki
>7500±n/a nM
Citation
 Kasibhatla, SR; Bookser, BC; Xiao, W; Erion, MD AMP deaminase inhibitors. 5. Design, synthesis, and SAR of a highly potent inhibitor series. J Med Chem 44:613-8 (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:
BDBM50096167
Synonyms:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-3-methoxy-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid | CHEMBL157743
Type:
Small organic molecule
Emp. Form.:
C20H24N4O4
Mol. Mass.:
384.429
SMILES:
COc1c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2cc1C(O)=O |c:14|
Structure:
Search PDB for entries with ligand similarity: