Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50096175
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:
BDBM50096175
Synonyms:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-8-trifluoromethyl-naphthalene-2-carboxylic acid | CHEMBL157426
Type:
Small organic molecule
Emp. Form.:
C20H17F3N4O3
Mol. Mass.:
418.3692
SMILES:
OC1CNC=Nc2c1ncn2CCc1cc(cc2c(cccc12)C(F)(F)F)C(O)=O |c:4|
Structure:
Search PDB for entries with ligand similarity: