Reaction Details
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Target
Adenosine receptor A3
Ligand
BDBM21221
Substrate
n/a
Ki
85±n/a nM
Comments
PDSP_2338
Citation

More Info.:
Target
Name:
Adenosine receptor A3
Synonyms:
A3 adenosine receptor (hA3) | Adenosine A3 receptor (A3AR) | AA3R_HUMAN | ADORA3
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36197.32
Organism:
Human
Description:
P0DMS8
Residue:
318
Sequence:
MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
Inhibitor
Name:
BDBM21221
Synonyms:
2-Cl-IB-MECA | CHEMBL431733 | C-IBzA-MU | 2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide | (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide | CI-IB-MECA | C1-IB-MECA | Cl-IB-MECA | US20230364057, Compound 76
Type:
Small organic molecule
Emp. Form.:
C18H18ClIN6O4
Mol. Mass.:
544.74
SMILES:
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O