Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50528500
Substrate
n/a
Meas. Tech.
ChEMBL_1905172 (CHEMBL4407530)
Ki
611±n/a nM
Citation
 Betti, M; Catarzi, D; Varano, F; Falsini, M; Varani, K; Vincenzi, F; Pasquini, S; di Cesare Mannelli, L; Ghelardini, C; Lucarini, E; Dal Ben, D; Spinaci, A; Bartolucci, G; Menicatti, M; Colotta, V Modifications on the Amino-3,5-dicyanopyridine Core To Obtain Multifaceted Adenosine Receptor Ligands with Antineuropathic Activity. J Med Chem 62:6894-6912 (2019) [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:
BDBM50528500
Synonyms:
CHEMBL4582498
Type:
Small organic molecule
Emp. Form.:
C19H12N4O3S
Mol. Mass.:
376.389
SMILES:
Nc1nc(SCc2cccc(c2)C(O)=O)c(C#N)c(-c2ccco2)c1C#N
Structure:
Search PDB for entries with ligand similarity: