Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50179028
Substrate
n/a
Meas. Tech.
ChEMBL_338529 (CHEMBL867190)
Ki
581±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:
BDBM50179028
Synonyms:
1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-2-(hex-1-ynyl)-9H-purin-6-yl)urea | CHEMBL206265
Type:
Small organic molecule
Emp. Form.:
C25H28ClN7O5
Mol. Mass.:
541.987
SMILES:
CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Structure:
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