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Target
AMP deaminase 2
Ligand
BDBM50087304
Substrate
n/a
Meas. Tech.
ChEMBL_28868 (CHEMBL644200)
Ki
800±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:
AMP deaminase 2
Synonyms:
AMP deaminase 2 | AMP deaminase 2 (hAMPD2) | AMPD2 | AMPD2_HUMAN
Type:
Protein
Mol. Mass.:
100694.77
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
879
Sequence:
MRNRGQGLFRLRSRCFLHQSLPLGAGRRKGLDVAEPGPSRCRSDSPAVAAVVPAMASYPSGSGKPKAKYPFKKRASLQASTAAPEARGGLGAPPLQSARSLPGPAPCLKHFPLDLRTSMDGKCKEIAEELFTRSLAESELRSAPYEFPEESPIEQLEERRQRLERQISQDVKLEPDILLRAKQDFLKTDSDSDLQLYKEQGEGQGDRSLRERDVLEREFQRVTISGEEKCGVPFTDLLDAAKSVVRALFIREKYMALSLQSFCPTTRRYLQQLAEKPLETRTYEQGPDTPVSADAPVHPPALEQHPYEHCEPSTMPGDLGLGLRMVRGVVHVYTRREPDEHCSEVELPYPDLQEFVADVNVLMALIINGPIKSFCYRRLQYLSSKFQMHVLLNEMKELAAQKKVPHRDFYNIRKVDTHIHASSCMNQKHLLRFIKRAMKRHLEEIVHVEQGREQTLREVFESMNLTAYDLSVDTLDVHADRNTFHRFDKFNAKYNPIGESVLREIFIKTDNRVSGKYFAHIIKEVMSDLEESKYQNAELRLSIYGRSRDEWDKLARWAVMHRVHSPNVRWLVQVPRLFDVYRTKGQLANFQEMLENIFLPLFEATVHPASHPELHLFLEHVDGFDSVDDESKPENHVFNLESPLPEAWVEEDNPPYAYYLYYTFANMAMLNHLRRQRGFHTFVLRPHCGEAGPIHHLVSAFMLAENISHGLLLRKAPVLQYLYYLAQIGIAMSPLSNNSLFLSYHRNPLPEYLSRGLMVSLSTDDPLQFHFTKEPLMEEYSIATQVWKLSSCDMCELARNSVLMSGFSHKVKSHWLGPNYTKEGPEGNDIRRTNVPDIRVGYRYETLCQELALITQAVQSEMLETIPEEAGITMSPGPQ
  
Inhibitor
Name:
BDBM50087304
Synonyms:
2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-methyl-hexanoic acid 2H2O.0.1CH3CO2H | 2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-methyl-hexanoic acid H2O.0.42CH3CO2H | CHEMBL290887
Type:
Small organic molecule
Emp. Form.:
C20H25BrN4O3
Mol. Mass.:
449.342
SMILES:
CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O |c:14|
Structure:
Search PDB for entries with ligand similarity: