Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A2
LigandBDBM50235054
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1654437
Ki 17±n/a nM
Citation Basu, SBarawkar, DAThorat, SShejul, YDPatel, MNaykodi, MJain, VSalve, YPrasad, VChaudhary, SGhosh, IBhat, GQuraishi, APatil, HAnsari, SMenon, SUnadkat, VThakare, RSeervi, MSMeru, AVDe, SBhamidipati, RKRouduri, SRPalle, VPChug, AMookhtiar, KA Design, Synthesis of Novel, Potent, Selective, Orally Bioavailable Adenosine A J Med Chem60:681-694 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A2
Name:Adenosine receptor
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:
BDBM50235054
NameBDBM50235054
Synonyms:CHEMBL4067952
TypeSmall organic molecule
Emp. Form.C23H33N3O4S
Mol. Mass.447.591
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)(CC3)C(C)C)nc12 |(9.5,-18.62,;10.85,-19.37,;10.87,-20.9,;9.55,-21.7,;9.57,-23.24,;10.92,-23.99,;10.94,-25.53,;12.29,-26.28,;12.31,-27.81,;10.99,-28.61,;9.64,-27.86,;9.62,-26.32,;12.24,-23.19,;13.72,-23.65,;14.6,-22.39,;16.14,-22.37,;16.93,-23.69,;16.18,-25.03,;18.46,-23.87,;18.02,-25.34,;18.38,-22.34,;19.66,-21.49,;21.03,-22.18,;22.32,-21.33,;21.13,-23.72,;19.84,-24.56,;21.02,-20.65,;22.34,-19.89,;19.7,-19.9,;13.68,-21.16,;12.22,-21.65,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a