Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50067105
Substrate
n/a
Meas. Tech.
ChEMBL_375257 (CHEMBL867484)
Ki
360±n/a nM
Citation
 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Pharmacophore based receptor modeling: the case of adenosine A3 receptor antagonists. An approach to the optimization of protein models. J Med Chem 49:4085-97 (2006) [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:
BDBM50067105
Synonyms:
2,4-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benzamide | 2,4-dimethyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide | CHEMBL128886
Type:
Small organic molecule
Emp. Form.:
C23H19N3O
Mol. Mass.:
353.4165
SMILES:
Cc1ccc(C(=O)Nc2nc(cc3ccccc23)-c2ccccn2)c(C)c1
Structure:
Search PDB for entries with ligand similarity: