Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM204876
Substrate
n/a
Meas. Tech.
Radioligand Binding Assays
Ki
95.7±25.4 nM
Citation
 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S Fluorescent antagonists of the A3 adenosine receptor US Patent  US9227979 Publication Date 1/5/2016 
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:
BDBM204876
Synonyms:
EA5/MRS5814 | US9227979, 25
Type:
Small organic molecule
Emp. Form.:
C47H40N11O10S
Mol. Mass.:
950.954
SMILES:
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCOOCCCCNC(=S)Nc3ccc(c(c3)C([O-])=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc1)n1nc(nc21)-c1ccco1 |(-13.81,8.24,;-12.32,8.64,;-11.12,7.67,;-9.83,8.51,;-10.23,10,;-11.77,10.08,;-9.14,11.09,;-7.65,10.69,;-6.56,11.78,;-4.83,11.02,;-4.83,9.48,;-3.82,12.08,;-2.28,12.08,;-2.28,13.62,;-.95,14.39,;.39,13.62,;1.49,13.8,;1.87,15.06,;1,16.09,;3.21,15.83,;4.54,14.84,;5.87,15.83,;7.4,14.96,;8.46,15.79,;9.79,15.02,;11.12,15.79,;12.36,15,;13.74,16.01,;15.58,14.84,;16.66,13.75,;16.66,12.21,;17.75,14.84,;18.84,13.75,;20.18,14.52,;21.51,13.75,;21.51,12.21,;20.18,11.44,;18.84,12.21,;20.18,9.9,;21.72,9.9,;21.27,10.99,;22.84,11.44,;22.84,9.9,;21.51,9.13,;21.51,7.59,;22.84,6.82,;22.84,5.28,;24.18,7.59,;24.18,9.13,;25.51,9.9,;25.51,11.44,;26.84,12.21,;26.84,13.75,;27.93,14.84,;25.51,14.52,;24.18,13.75,;24.18,12.21,;.39,12.08,;-.95,11.31,;-7.25,9.2,;-5.88,8.5,;-6.12,6.98,;-7.64,6.74,;-8.34,8.11,;-5.03,5.89,;-5.27,4.37,;-3.9,3.67,;-2.81,4.76,;-3.51,6.13,)|
Structure:
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