Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50087395
Substrate
n/a
Meas. Tech.
ChEMBL_30792 (CHEMBL873051)
Ki
11900±n/a nM
Citation
 Kasibhatla, SR; Bookser, BC; Probst, G; Appleman, JR; Erion, MD AMP deaminase inhibitors. 3. SAR of 3-(carboxyarylalkyl)coformycin aglycon analogues. J Med Chem 43:1508-18 (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:
BDBM50087395
Synonyms:
2-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethylsulfanyl]-benzoic acid methyl ester | CHEMBL288607
Type:
Small organic molecule
Emp. Form.:
C16H18N4O3S
Mol. Mass.:
346.404
SMILES:
COC(=O)c1ccccc1SCCn1cnc2C(O)CNC=Nc12 |c:22|
Structure:
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