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TargetAdenosine receptor A2a
LigandBDBM50108680
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1506709 (CHEMBL3598725)
Ki 1.4±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 Lett25:2958-62 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A2a
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:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAI
PFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTR
AKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYF
NFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVG
LFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFR
KIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNG
YALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
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  Blast E-value cutoff:
BDBM50108680
n/a
NameBDBM50108680
Synonyms:CHEMBL3596517
TypeSmall organic molecule
Emp. Form.C21H26N8OS
Mol. Mass.438.549
SMILESCOc1cccc2c3nc(CN4CCN(C[C@H]4C)c4sc(C)nc4C)nn3c(N)nc12 |r|
Structure
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