Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM204873
Substrate
n/a
Meas. Tech.
Radioligand Binding Assays
Ki
104±44 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:
BDBM204873
Synonyms:
EA14/MRS5823 | US9227979, 22
Type:
Small organic molecule
Emp. Form.:
C44H34N11O8S
Mol. Mass.:
876.875
SMILES:
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCNC(=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,;4.54,15.06,;5.87,15.83,;7.21,15.06,;8.3,16.15,;9.39,15.06,;9.39,13.52,;10.48,16.15,;11.56,15.06,;12.9,15.83,;14.23,15.06,;14.23,13.52,;12.9,12.75,;11.56,13.52,;12.9,11.21,;14.44,11.21,;13.99,12.3,;15.57,12.75,;15.57,11.21,;14.23,10.44,;14.23,8.9,;15.57,8.13,;15.57,6.59,;16.9,8.9,;16.9,10.44,;18.23,11.21,;18.23,12.75,;19.57,13.52,;19.57,15.06,;20.66,16.15,;18.23,15.83,;16.9,15.06,;16.9,13.52,;.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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