Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM204861
Substrate
n/a
Meas. Tech.
Radioligand Binding Assays
Ki
6.4±2.5 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:
BDBM204861
Synonyms:
MRS5449 | US9227979, 9
Type:
Small organic molecule
Emp. Form.:
C46H38ClN11O12S2
Mol. Mass.:
1036.445
SMILES:
Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCCn3cc(CCCC(=O)Nc4nc5ccc(Cl)cc5c5nc(nn45)-c4ccco4)nn3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O |(12.16,7.64,;11.39,6.3,;9.85,6.3,;9.08,4.97,;9.85,3.64,;9.08,2.3,;7.54,2.3,;6.77,3.64,;5.23,3.64,;4.46,2.3,;5.23,.97,;6.77,.97,;7.54,-.36,;6.21,-1.13,;8.88,-1.13,;2.92,2.3,;2.15,.97,;2.15,3.64,;.61,3.64,;-.16,2.3,;.61,.97,;-.16,-.36,;-1.7,-.36,;-2.1,1.12,;-3.58,1.52,;-4.49,.28,;-5.95,.75,;-7.29,-.02,;-8.62,.75,;-9.95,-.02,;-11.29,.75,;-11.29,2.29,;-12.62,-.02,;-12.62,-1.56,;-13.96,-2.33,;-13.96,-3.87,;-15.29,-4.64,;-15.29,-6.18,;-13.96,-6.95,;-13.96,-8.49,;-12.62,-6.18,;-12.62,-4.64,;-11.29,-3.87,;-9.82,-4.34,;-8.92,-3.1,;-9.82,-1.85,;-11.29,-2.33,;-7.38,-3.1,;-6.47,-4.34,;-5.01,-3.87,;-5.01,-2.33,;-6.47,-1.85,;-5.95,2.29,;-4.49,2.77,;9.85,.97,;9.08,-.36,;9.85,-1.7,;11.39,-1.7,;12.16,-3.03,;12.16,-.36,;11.39,.97,;12.16,2.3,;11.39,3.64,;12.16,4.97,;13.7,4.97,;15.04,4.2,;14.47,6.3,;13.7,3.43,;13.7,-.36,;15.04,-1.13,;14.47,.97,;13.7,-1.9,)|
Structure:
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