Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50458354
Substrate
n/a
Meas. Tech.
ChEMBL_1763190 (CHEMBL4198437)
Ki
474±n/a nM
Citation
 Betti, M; Catarzi, D; Varano, F; Falsini, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Colotta, V The aminopyridine-3,5-dicarbonitrile core for the design of new non-nucleoside-like agonists of the human adenosine A Eur J Med Chem 150:127-139 (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:
BDBM50458354
Synonyms:
CHEMBL4216880
Type:
Small organic molecule
Emp. Form.:
C21H18N6OS
Mol. Mass.:
402.472
SMILES:
Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
Structure:
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