Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50247444
Substrate
n/a
Meas. Tech.
ChEMBL_1677778 (CHEMBL4027921)
Ki
1000±n/a nM
Citation
 Petrelli, R; Scortichini, M; Belardo, C; Boccella, S; Luongo, L; Capone, F; Kachler, S; Vita, P; Del Bello, F; Maione, S; Lavecchia, A; Klotz, KN; Cappellacci, L Structure-Based Design, Synthesis, and In Vivo Antinociceptive Effects of Selective A J Med Chem 61:305-318 (2018) [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:
BDBM50247444
Synonyms:
CHEMBL4087198
Type:
Small organic molecule
Emp. Form.:
C27H33N7O4
Mol. Mass.:
519.5954
SMILES:
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)nc(nc23)-c2cc(C)cc(C)c2)n1 |r|
Structure:
Search PDB for entries with ligand similarity: