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TargetAdenosine receptor A2a
LigandBDBM50108679
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1506709
Ki 5.2±n/a nM
Citation Deng QLim YHAnand RYu YKim JHZhou WZheng JTempest PLevorse DZhang XGreene SMullins DCulberson CSherborne BParker EMStamford AAli A Use of molecular modeling aided design to dial out hERG liability in adenosine A(2A) receptor antagonists. Bioorg Med Chem Lett 25:2958-62 (2015) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A2a
Name:Adenosine receptor A2a
Synonyms:A2A adenosine receptor (hA2A) | 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:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAI
PFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTR
AKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYF
NFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVG
LFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFR
KIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNG
YALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50108679
n/a
NameBDBM50108679
Synonyms:CHEMBL3596518
TypeSmall organic molecule
Emp. Form.C18H20ClN9OS
Mol. Mass.445.929
SMILESCOc1cccc2c3nc(CN4CCN(C[C@H]4C)c4nsnc4Cl)nn3c(N)nc12 |r|
Structure
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