Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50580162
Substrate
n/a
Meas. Tech.
ChEMBL_2147328 (CHEMBL5031674)
Ki
2300±n/a nM
Citation
 Lee, Y; Hou, X; Lee, JH; Nayak, A; Alexander, V; Sharma, PK; Chang, H; Phan, K; Gao, ZG; Jacobson, KA; Choi, S; Jeong, LS Subtle Chemical Changes Cross the Boundary between Agonist and Antagonist: New A J Med Chem 64:12525-12536 (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:
BDBM50580162
Synonyms:
CHEMBL5086261
Type:
Small organic molecule
Emp. Form.:
C16H17IN6OS
Mol. Mass.:
468.315
SMILES:
N[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Structure:
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