Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50591169
Substrate
n/a
Meas. Tech.
ChEMBL_2199481 (CHEMBL5111997)
Ki
0.114815±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:
BDBM50591169
Synonyms:
CHEMBL5201810
Type:
Small organic molecule
Emp. Form.:
C20H18N6O
Mol. Mass.:
358.3965
SMILES:
O=C(CNc1ccccc1)Nc1n[nH]c2cnc(Nc3ccccc3)cc12
Structure:
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