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Target
Adenosine receptor A2a
Ligand
BDBM50542172
Substrate
n/a
Meas. Tech.
ChEMBL_1986036 (CHEMBL4619442)
Ki
1.000000±n/a nM
Citation
 Mallo-Abreu, A; Prieto-Díaz, R; Jespers, W; Azuaje, J; Majellaro, M; Velando, C; García-Mera, X; Caamaño, O; Brea, J; Loza, MI; Gutiérrez-de-Terán, H; Sotelo, E Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A J Med Chem 63:7721-7739 (2020) [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:
BDBM50542172
Synonyms:
CHEMBL4632760
Type:
Small organic molecule
Emp. Form.:
C18H18N4O3
Mol. Mass.:
338.3605
SMILES:
CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncco1 |c:6|
Structure:
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