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Target
Adenosine receptor A2a
Ligand
BDBM50235053
Substrate
n/a
Meas. Tech.
ChEMBL_1654437 (CHEMBL4003803)
Ki
8.6±n/a nM
Citation
 Basu, S; Barawkar, DA; Thorat, S; Shejul, YD; Patel, M; Naykodi, M; Jain, V; Salve, Y; Prasad, V; Chaudhary, S; Ghosh, I; Bhat, G; Quraishi, A; Patil, H; Ansari, S; Menon, S; Unadkat, V; Thakare, R; Seervi, MS; Meru, AV; De, S; Bhamidipati, RK; Rouduri, SR; Palle, VP; Chug, A; Mookhtiar, KA Design, Synthesis of Novel, Potent, Selective, Orally Bioavailable Adenosine A J Med Chem 60:681-694 (2017) [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:
BDBM50235053
Synonyms:
CHEMBL4064207
Type:
Small organic molecule
Emp. Form.:
C21H29N3O4S
Mol. Mass.:
419.538
SMILES:
COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(C)(O)CC3)nc12 |(8.17,-13.78,;9.51,-14.53,;9.54,-16.06,;8.22,-16.86,;8.24,-18.4,;9.59,-19.15,;9.61,-20.69,;10.95,-21.44,;10.98,-22.98,;9.66,-23.77,;8.31,-23.02,;8.29,-21.48,;10.91,-18.36,;12.39,-18.81,;13.27,-17.55,;14.81,-17.53,;15.6,-18.85,;14.85,-20.2,;17.13,-19.03,;16.68,-20.51,;17.04,-17.5,;18.33,-16.65,;19.7,-17.35,;19.69,-15.82,;20.99,-16.5,;19.79,-18.88,;18.51,-19.72,;12.34,-16.32,;10.89,-16.81,)|
Structure:
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