Reaction Details  Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50545320
Substrate
n/a
Meas. Tech.
ChEMBL_1994852 (CHEMBL4628747)
Ki
>10000±n/a nM
Citation
 Varano, F; Catarzi, D; Vincenzi, F; Pasquini, S; Pelletier, J; Lopes Rangel Fietto, J; Espindola Gelsleichter, N; Sarlandie, M; Guilbaud, A; Sévigny, J; Varani, K; Colotta, V Structural investigation on thiazolo[5,4-d]pyrimidines to obtain dual-acting blockers of CD73 and adenosine A Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50545320
Synonyms:
CHEMBL4632626
Type:
Small organic molecule
Emp. Form.:
C24H23N7O5S2
Mol. Mass.:
553.613
SMILES:
Nc1nc(nc2sc(nc12)-c1ccco1)N1CCC(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1
Structure:
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