Target
Adenosine receptor A3
Ligand
BDBM10849
Substrate
n/a
Meas. Tech.
ChEMBL_1936018 (CHEMBL4481777)
Ki
13300±n/a nM
Citation
 Za?uski, MSchabikowski, JSchlenk, MOlejarz-Maciej, AKubas, BKarcz, TKuder, KLatacz, GZygmunt, MSynak, DHinz, SMüller, CEKie?-Kononowicz, K Novel multi-target directed ligands based on annelated xanthine scaffold with aromatic substituents acting on adenosine receptor and monoamine oxidase B. Synthesis, in vitro and in silico studies. Bioorg Med Chem 27:1195-1210 (2019) [PubMed]  Article 
Target
Name:
Adenosine receptor A3
Synonyms:
A3 adenosine receptor (hA3) | AA3R_HUMAN | ADORA3 | Adenosine A3 receptor (A3AR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36197.32
Organism:
Homo sapiens (Human)
Description:
P0DMS8
Residue:
318
Sequence:
MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
  
Inhibitor
Name:
BDBM10849
Synonyms:
1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | 1,3,7-trimethyl-3,7-dihydropurine-2,6-dione | CHEMBL113 | Caffeine (1,3,7-trimethylxanthine) | caffeine
Type:
Small organic molecule
Emp. Form.:
C8H10N4O2
Mol. Mass.:
194.1906
SMILES:
Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Structure:
Search PDB for entries with ligand similarity: