Reaction Details  Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50095778
Substrate
n/a
Meas. Tech.
ChEMBL_31853 (CHEMBL643930)
Ki
2100±n/a nM
Citation
 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S 2-Alkynyl-8-aryl-9-methyladenines as novel adenosine receptor antagonists: their synthesis and structure-activity relationships toward hepatic glucose production induced via agonism of the A(2B) receptor. J Med Chem 44:170-9 (2001) [PubMed]
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:
BDBM50095778
Synonyms:
4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-yl]-2-methyl-but-3-yn-2-ol | CHEMBL300624
Type:
Small organic molecule
Emp. Form.:
C17H16FN5O
Mol. Mass.:
325.3402
SMILES:
Cn1c(nc2c(N)nc(nc12)C#CC(C)(C)O)-c1cccc(F)c1
Structure:
Search PDB for entries with ligand similarity: