Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50182313
Substrate
n/a
Meas. Tech.
ChEMBL_349357 (CHEMBL865062)
Ki
9.1±n/a nM
Citation
 DeNinno, MP; Masamune, H; Chenard, LK; DiRico, KJ; Eller, C; Etienne, JB; Tickner, JE; Kennedy, SP; Knight, DR; Kong, J; Oleynek, JJ; Tracey, WR; Hill, RJ The synthesis of highly potent, selective, and water-soluble agonists at the human adenosine A3 receptor. Bioorg Med Chem Lett 16:2525-7 (2006) [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:
BDBM50182313
Synonyms:
(2S,3S,4R,5R)-5-(6-(5-chloro-2-(2-(4-(dimethylamino)piperidin-1-yl)-2-oxoethoxy)benzylamino)-9H-purin-9-yl)-3-amino-4-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide | CHEMBL377608
Type:
Small organic molecule
Emp. Form.:
C27H36ClN9O5
Mol. Mass.:
602.085
SMILES:
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCC(CC3)N(C)C)ncnc12
Structure:
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