Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50059393
Substrate
n/a
Meas. Tech.
ChEMBL_32001 (CHEMBL646598)
Ki
5000±n/a nM
Citation
 Jiang, J; van Rhee, AM; Chang, L; Patchornik, A; Ji, XD; Evans, P; Melman, N; Jacobson, KA Structure-activity relationships of 4-(phenylethynyl)-6-phenyl-1,4-dihydropyridines as highly selective A3 adenosine receptor antagonists. J Med Chem 40:2596-608 (1997) [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:
BDBM50059393
Synonyms:
2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-[4-(2,2,2-trichloro-ethoxycarbonyl)-benzyl] ester | CHEMBL312989
Type:
Small organic molecule
Emp. Form.:
C34H28Cl3NO6
Mol. Mass.:
652.948
SMILES:
CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(cc2)C(=O)OCC(Cl)(Cl)Cl)=C(N=C1C)c1ccccc1 |c:35,37|
Structure:
Search PDB for entries with ligand similarity: