Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50389797
Substrate
n/a
Meas. Tech.
ChEMBL_834568 (CHEMBL2072276)
Ki
180±n/a nM
Citation
 Tosh, DK; Phan, K; Gao, ZG; Gakh, AA; Xu, F; Deflorian, F; Abagyan, R; Stevens, RC; Jacobson, KA; Katritch, V Optimization of adenosine 5'-carboxamide derivatives as adenosine receptor agonists using structure-based ligand design and fragment screening. J Med Chem 55:4297-308 (2012) [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:
BDBM50389797
Synonyms:
CHEMBL261482
Type:
Small organic molecule
Emp. Form.:
C13H16N6O4
Mol. Mass.:
320.3039
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
Structure:
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