Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM50258672
Substrate
n/a
Meas. Tech.
ChEMBL_1724453 (CHEMBL4139731)
Ki
0.794328±n/a nM
Citation
 Paz, OS; de Jesus Pinheiro, M; do Espirito Santo, RF; Villarreal, CF; Castilho, MS Nanomolar anti-sickling compounds identified by ligand-based pharmacophore approach. Eur J Med Chem 136:487-496 (2017) [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:
BDBM50258672
Synonyms:
CHEMBL513681 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl thiophen-3-ylcarbamate
Type:
Small organic molecule
Emp. Form.:
C20H18N4O4S
Mol. Mass.:
410.446
SMILES:
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1
Structure:
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