Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50591164
Substrate
n/a
Meas. Tech.
ChEMBL_2199491 (CHEMBL5112007)
Kd
257±n/a nM
Citation
 Stampelou, M; Suchankova, A; Tzortzini, E; Dhingra, L; Barkan, K; Lougiakis, N; Marakos, P; Pouli, N; Ladds, G; Kolocouris, A Dual A1/A3 Adenosine Receptor Antagonists: Binding Kinetics and Structure-Activity Relationship Studies Using Mutagenesis and Alchemical Binding Free Energy Calculations. J Med Chem 65:13305-13327 (2022) [PubMed] 
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:
BDBM50591164
Synonyms:
CHEMBL5196781
Type:
Small organic molecule
Emp. Form.:
C22H23N5O3
Mol. Mass.:
405.4497
SMILES:
COc1cc(Nc2nc(CN)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
Structure:
Search PDB for entries with ligand similarity: