Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50179039
Substrate
n/a
Meas. Tech.
ChEMBL_338529 (CHEMBL867190)
Ki
532±n/a nM
Citation
 González, MP; Terán, C; Teijeira, M A topological function based on spectral moments for predicting affinity toward A3 adenosine receptors. Bioorg Med Chem Lett 16:1291-6 (2006) [PubMed]  Article 
Target
Name:
Adenosine receptor A3
Synonyms:
AA3R_RAT | Adenosine A3 receptor | Adenosine receptor A2a and A3 | Adora3
Type:
PROTEIN
Mol. Mass.:
36643.73
Organism:
Rattus norvegicus
Description:
ChEMBL_479910
Residue:
320
Sequence:
MKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALADIAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILRACRLCQTSDSLDSNLEQTTE
  
Inhibitor
Name:
BDBM50179039
Synonyms:
1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-6-yl)-3-(5-methylisoxazol-3-yl)urea | CHEMBL202690
Type:
Small organic molecule
Emp. Form.:
C17H20N8O6
Mol. Mass.:
432.3907
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cc(C)on3)ncnc12
Structure:
Search PDB for entries with ligand similarity: