Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50082426
Substrate
n/a
Meas. Tech.
ChEMBL_587704 (CHEMBL1037718)
Ki
13.28±n/a nM
Citation
 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites. Bioorg Med Chem 17:5259-74 (2009) [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:
BDBM50082426
Synonyms:
1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea | 1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea | CHEMBL137950
Type:
Small organic molecule
Emp. Form.:
C25H19ClN8O2
Mol. Mass.:
498.924
SMILES:
Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
Structure:
Search PDB for entries with ligand similarity: