Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50067116
Substrate
n/a
Meas. Tech.
ChEMBL_375257 (CHEMBL867484)
Ki
17±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:
BDBM50067116
Synonyms:
4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benzamide | 4-methoxy-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide | CHEMBL128929 | VUF-8504
Type:
Small organic molecule
Emp. Form.:
C22H17N3O2
Mol. Mass.:
355.3893
SMILES:
COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Structure:
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