Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM204875
Substrate
n/a
Meas. Tech.
Radioligand Binding Assays
Ki
96.7±26.9 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 A3
Synonyms:
A3 adenosine receptor (hA3) | AA3R_HUMAN | ADORA3 | Adenosine A3 receptor (A3AR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36197.32
Organism:
Homo sapiens (Human)
Description:
P0DMS8
Residue:
318
Sequence:
MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
  
Inhibitor
Name:
BDBM204875
Synonyms:
EA8/MRS5817 | US9227979, 24
Type:
Small organic molecule
Emp. Form.:
C46H38N11O8S
Mol. Mass.:
904.928
SMILES:
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCCCNC(=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,;.54,15.04,;1.87,15.06,;2.69,13.75,;2.84,16.56,;4.39,16.16,;4.94,17.64,;6.91,16.97,;8.07,18.25,;9.48,17.48,;10.86,18.35,;11.95,17.26,;11.95,15.72,;13.04,18.35,;14.13,17.26,;15.46,18.03,;16.8,17.26,;16.8,15.72,;15.46,14.95,;14.13,15.72,;15.46,13.41,;17,13.41,;16.55,14.5,;18.13,14.95,;18.13,13.41,;16.8,12.64,;16.8,11.1,;18.13,10.33,;18.13,8.79,;19.47,11.1,;19.47,12.64,;20.8,13.41,;20.8,14.95,;22.13,15.72,;22.13,17.26,;23.22,18.35,;20.8,18.03,;19.47,17.26,;19.47,15.72,;.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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