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Target
Adenosine receptor A2a
Ligand
BDBM50150077
Substrate
n/a
Meas. Tech.
ChEMBL_2154531 (CHEMBL5039191)
EC50
9.8±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 A2a
Synonyms:
A2A adenosine receptor (hA2A) | AA2AR_HUMAN | ADENOSINE A2 | ADENOSINE A2a | ADORA2 | ADORA2A | Adenosine A2A receptor (A2AAR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
44716.46
Organism:
Homo sapiens (Human)
Description:
P29274
Residue:
412
Sequence:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
  
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:
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