Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM204855
Substrate
n/a
Meas. Tech.
Radioligand Binding Assays
Ki
460±60 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:
BDBM204855
Synonyms:
US9227979, 3
Type:
Small organic molecule
Emp. Form.:
C36H28N9O6S
Mol. Mass.:
714.73
SMILES:
Cn1cc2c(n1)nc(NCCCCNC(=S)Nc1ccc(c(c1)C([O-])=O)-c1c3ccc(O)cc3oc3cc(=O)ccc13)n1nc(nc21)-c1ccco1 |(-13.71,11.93,;-12.17,11.93,;-11.27,10.68,;-9.8,11.16,;-9.8,12.7,;-11.27,13.17,;-8.47,13.47,;-7.13,12.7,;-5.67,13.94,;-4.49,12.57,;-2.83,13.27,;-1.87,12.04,;-.48,12.72,;.61,11.63,;2.15,11.63,;2.55,13.12,;2.92,10.3,;4.46,10.3,;5.23,11.63,;6.77,11.63,;7.54,10.3,;6.77,8.97,;5.23,8.97,;7.54,7.63,;6.77,6.3,;8.88,6.86,;9.08,10.3,;9.85,11.63,;9.08,12.97,;9.85,14.3,;11.39,14.3,;12.16,15.63,;12.16,12.97,;11.39,11.63,;12.16,10.3,;11.39,8.97,;12.16,7.63,;11.39,6.3,;12.16,4.96,;9.85,6.3,;9.08,7.63,;9.85,8.97,;-7.13,11.16,;-5.99,10.12,;-6.62,8.72,;-8.15,8.88,;-8.47,10.39,;-5.85,7.38,;-6.47,5.98,;-5.33,4.95,;-3.99,5.72,;-4.31,7.22,)|
Structure:
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