Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50520046
Substrate
n/a
Meas. Tech.
ChEMBL_1878950 (CHEMBL4380344)
Ki
130±n/a nM
Citation
 Ballante, F; Rudling, A; Zeifman, A; Luttens, A; Vo, DD; Irwin, JJ; Kihlberg, J; Brea, J; Loza, MI; Carlsson, J Docking Finds GPCR Ligands in Dark Chemical Matter. J Med Chem 63:613-620 (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:
BDBM50520046
Synonyms:
CHEMBL1340426
Type:
Small organic molecule
Emp. Form.:
C13H10N4O2
Mol. Mass.:
254.2441
SMILES:
Nc1nc(nn1C(=O)c1ccco1)-c1ccccc1
Structure:
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