Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50413803
Substrate
n/a
Meas. Tech.
ChEMBL_1663192 (CHEMBL4012873)
Ki
26±n/a nM
Citation
 Falsini, M; Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Dal Ben, D; Marucci, G; Buccioni, M; Volpini, R; De Vita, T; Cavalli, A; Colotta, V The 1,2,4-Triazolo[4,3-a]pyrazin-3-one as a Versatile Scaffold for the Design of Potent Adenosine Human Receptor Antagonists. Structural Investigations to Target the A J Med Chem 60:5772-5790 (2017) [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:
BDBM50413803
Synonyms:
CHEMBL487754
Type:
Small organic molecule
Emp. Form.:
C17H23ClN6O4
Mol. Mass.:
410.855
SMILES:
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Structure:
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