Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50087315
Substrate
n/a
Meas. Tech.
ChEMBL_30801 (CHEMBL645077)
Ki
>7500±n/a nM
Citation
 Bookser, BC; Kasibhatla, SR; Appleman, JR; Erion, MD AMP deaminase inhibitors. 2. Initial discovery of a non-nucleotide transition-state inhibitor series. J Med Chem 43:1495-507 (2000) [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:
BDBM50087315
Synonyms:
3-(3-Hydroxy-propyl)-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diazepin-8-ol | CHEMBL288438
Type:
Small organic molecule
Emp. Form.:
C9H14N4O2
Mol. Mass.:
210.2331
SMILES:
OCCCn1cnc2C(O)CNC=Nc12 |c:12|
Structure:
Search PDB for entries with ligand similarity: