Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM50150077
Substrate
n/a
Meas. Tech.
ChEMBL_2154525 (CHEMBL5039185)
Ki
40±n/a nM
Citation
 Amelia, T; van Veldhoven, JPD; Falsini, M; Liu, R; Heitman, LH; van Westen, GJP; Segala, E; Verdon, G; Cheng, RKY; Cooke, RM; van der Es, D; IJzerman, AP Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A J Med Chem 64:3827-3842 (2021) [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:
BDBM50150077
Synonyms:
2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylpyridine-3,5-dicarbonitrile | 2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile | CHEMBL124345
Type:
Small organic molecule
Emp. Form.:
C17H12N6S
Mol. Mass.:
332.382
SMILES:
Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccccc2)c1C#N
Structure:
Search PDB for entries with ligand similarity: