Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50214974
Substrate
n/a
Meas. Tech.
ChEMBL_2051736 (CHEMBL4706435)
Ki
4.2±n/a nM
Citation
 An, S; Kim, G; Kim, HJ; Ahn, S; Kim, HY; Ko, H; Hyun, YE; Nguyen, M; Jeong, J; Liu, Z; Han, J; Choi, H; Yu, J; Kim, JW; Lee, HW; Jacobson, KA; Cho, WJ; Kim, YM; Kang, KW; Noh, M; Jeong, LS Discovery and Structure-Activity Relationships of Novel Template, Truncated 1'-Homologated Adenosine Derivatives as Pure Dual PPAR?/? Modulators. J Med Chem 63:16012-16027 (2020) [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:
BDBM50214974
Synonyms:
(2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)tetrahydrothiophene3,4-diol | (2R,3R,4S)-2-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol | CHEMBL413686
Type:
Small organic molecule
Emp. Form.:
C16H15ClIN5O2S
Mol. Mass.:
503.745
SMILES:
O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Structure:
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