Reaction Details  Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50500115
Substrate
n/a
Meas. Tech.
ChEMBL_1546514 (CHEMBL3749017)
Ki
1110±n/a nM
Citation
 Tosh, DK; Paoletta, S; Chen, Z; Crane, S; Lloyd, J; Gao, ZG; Gizewski, ET; Auchampach, JA; Salvemini, D; Jacobson, KA Structure-Based Design, Synthesis by Click Chemistry and  Medchemcomm 6:555-563[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:
BDBM50500115
Synonyms:
CHEMBL3747209
Type:
Small organic molecule
Emp. Form.:
C21H23N9O3
Mol. Mass.:
449.4658
SMILES:
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCc3ccccc3)nc(N=[N+]=[N-])nc12)C(=O)NC |r|
Structure:
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