Target
Adenosine receptor A3
Ligand
BDBM50138568
Substrate
n/a
Meas. Tech.
ChEMBL_1550085 (CHEMBL3756031)
IC50
0.110000±n/a nM
Citation
 Squarcialupi, LCatarzi, DVarano, FBetti, MFalsini, MVincenzi, FRavani, ACiancetta, AVarani, KMoro, SColotta, V Structural refinement of pyrazolo[4,3-d]pyrimidine derivatives to obtain highly potent and selective antagonists for the human A3 adenosine receptor. Eur J Med Chem 108:117-33 (2016) [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:
BDBM50138568
Synonyms:
CHEMBL3754229
Type:
Small organic molecule
Emp. Form.:
C23H17N5O2S
Mol. Mass.:
427.478
SMILES:
COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Structure:
Search PDB for entries with ligand similarity: