Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50389140
Substrate
n/a
Meas. Tech.
ChEMBL_833205 (CHEMBL2067496)
Ki
3.8±n/a nM
Citation
 Tosh, DK; Deflorian, F; Phan, K; Gao, ZG; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA Structure-guided design of A(3) adenosine receptor-selective nucleosides: combination of 2-arylethynyl and bicyclo[3.1.0]hexane substitutions. J Med Chem 55:4847-60 (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:
BDBM50389140
Synonyms:
CHEMBL2064647
Type:
Small organic molecule
Emp. Form.:
C24H26N6O3
Mol. Mass.:
446.5016
SMILES:
CCc1ccc(cc1)C#Cc1nc(NC)c2ncn([C@@H]3[C@H]4C[C@]4([C@@H](O)[C@H]3O)C(=O)NC)c2n1 |r|
Structure:
Search PDB for entries with ligand similarity: