Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM50018162
Substrate
n/a
Meas. Tech.
ChEMBL_320805 (CHEMBL884760)
Ki
250±n/a nM
Citation
 Ivanov, AA; Baskin, II; Palyulin, VA; Piccagli, L; Baraldi, PG; Zefirov, NS Molecular modeling and molecular dynamics simulation of the human A2B adenosine receptor. The study of the possible binding modes of the A2B receptor antagonists. J Med Chem 48:6813-20 (2005) [PubMed]  Article 
Target
Name:
Adenosine receptor A2b
Synonyms:
AA2BR_HUMAN | ADENOSINE A2B | ADORA2B | Adenosine receptor A2B (A2B) | Adenosine receptors A2b | Adenosine receptors; A2a & A2b
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36341.22
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
332
Sequence:
MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
  
Inhibitor
Name:
BDBM50018162
Synonyms:
4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid:1/4 moles H2O | 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid | CHEMBL418333
Type:
Small organic molecule
Emp. Form.:
C17H20N4O5S
Mol. Mass.:
392.429
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
Structure:
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