Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50134814
Substrate
n/a
Meas. Tech.
ChEMBL_351396 (CHEMBL870047)
Ki
610±n/a nM
Citation
 Gao, ZG; Duong, HT; Sonina, T; Kim, SK; Van Rompaey, P; Van Calenbergh, S; Mamedova, L; Kim, HO; Kim, MJ; Kim, AY; Liang, BT; Jeong, LS; Jacobson, KA Orthogonal activation of the reengineered A3 adenosine receptor (neoceptor) using tailored nucleoside agonists. J Med Chem 49:2689-702 (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:
BDBM50134814
Synonyms:
(2R,3R,4S,5S)-2-(6-(3-iodobenzylamino)-9H-purin-9-yl)-4-(aminomethyl)-5-(hydroxymethyl)-tetrahydrofuran-3-ol | (2R,3R,4S,5S)-4-Aminomethyl-5-hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3-ol | CHEMBL144521
Type:
Small organic molecule
Emp. Form.:
C18H21IN6O3
Mol. Mass.:
496.3022
SMILES:
NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Structure:
Search PDB for entries with ligand similarity: