Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50190449
Substrate
n/a
Meas. Tech.
ChEMBL_375257 (CHEMBL867484)
Ki
188±n/a nM
Citation
 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Pharmacophore based receptor modeling: the case of adenosine A3 receptor antagonists. An approach to the optimization of protein models. J Med Chem 49:4085-97 (2006) [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:
BDBM50190449
Synonyms:
2-hydroxyethyl 4,6-diethyl-5-(ethylthiocarbonyl)-2-phenylnicotinate | 4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicotinic acid 2-hydroxy-ethyl ester | CHEMBL108501
Type:
Small organic molecule
Emp. Form.:
C21H25NO4S
Mol. Mass.:
387.493
SMILES:
CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCO)c1CC
Structure:
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