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Target
Adenosine receptor A3
Ligand
BDBM50144902
Substrate
n/a
Meas. Tech.
ChEMBL_31858 (CHEMBL643935)
Ki
6940±n/a nM
Citation
 Kehraus, S; Gorzalka, S; Hallmen, C; Iqbal, J; Müller, CE; Wright, AD; Wiese, M; König, GM Novel amino acid derived natural products from the ascidian Atriolum robustum: identification and pharmacological characterization of a unique adenosine derivative. J Med Chem 47:2243-55 (2004) [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:
BDBM50144902
Synonyms:
3-(4-Hydroxy-phenyl)-2-methoxy-acrylic acid (3S,5R)-2-(6-amino-purin-9-yl)-4-(3-1H-imidazol-4-yl-acryloyloxy)-5-((S)-(R)-methylsulfanylmethyl)-tetrahydro-furan-3-yl ester | CHEMBL72613
Type:
Small organic molecule
Emp. Form.:
C27H27N7O7S
Mol. Mass.:
593.611
SMILES:
COC(=Cc1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc12 |w:20.21,3.3|
Structure:
Search PDB for entries with ligand similarity: