Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50106535
Substrate
n/a
Meas. Tech.
ChEMBL_31833 (CHEMBL641335)
Ki
0.870±n/a nM
Citation
 Jacobson, KA; Gao, ZG; Chen, A; Barak, D; Kim, SA; Lee, K; Link, A; Rompaey, PV; van Calenbergh, S; Liang, BT Neoceptor concept based on molecular complementarity in GPCRs: a mutant adenosine A(3) receptor with selectively enhanced affinity for amine-modified nucleosides. J Med Chem 44:4125-36 (2001) [PubMed]  Article 
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:
BDBM50106535
Synonyms:
(2R,3R,4S,5S)-4-Amino-5-hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3-ol | 4-Amino-5-hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3-ol | CHEMBL132629
Type:
Small organic molecule
Emp. Form.:
C17H19IN6O3
Mol. Mass.:
482.2756
SMILES:
N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Structure:
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