Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50189099
Substrate
n/a
Meas. Tech.
ChEMBL_1591033 (CHEMBL3831118)
Ki
1280±n/a nM
Citation
 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Discovery of 7-(Prolinol-N-yl)-2-phenylamino-thiazolo[5,4-d]pyrimidines as Novel Non-Nucleoside Partial Agonists for the A2A Adenosine Receptor: Prediction from Molecular Modeling. J Med Chem 59:5922-8 (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:
BDBM50189099
Synonyms:
CHEMBL3828479
Type:
Small organic molecule
Emp. Form.:
C18H21N5O3S
Mol. Mass.:
387.456
SMILES:
COc1cc(Nc2nc3c(ncnc3s2)N2CCCC2)cc(OC)c1OC
Structure:
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