Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM21222
Substrate
BDBM21242
Meas. Tech.
Human A1 Adenosine Receptor Binding Assay
Citation
 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Derivatives of 4-Amino-6-hydroxy-2-mercaptopyrimidine as Novel, Potent, and Selective A3 Adenosine Receptor Antagonists. J Med Chem 51:1764-70 (2008) [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:
BDBM21222
Synonyms:
2-mercaptopyrimidine analogue, 5a | N-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]acetamide
Type:
Small organic molecule
Emp. Form.:
C8H11N3O2S
Mol. Mass.:
213.257
SMILES:
COc1cc(NC(C)=O)nc(SC)n1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21242
Synonyms:
(2S,3S,4R,5R)-5-(6-{[(4-aminophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide | AB-MECA | N(6)-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide | [3H]AB-MECA
Type:
radiolabeled ligand
Emp. Form.:
C18H21N7O4
Mol. Mass.:
399.4038
SMILES:
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)cc3)ncnc12
Structure:
Search PDB for entries with ligand similarity: