Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50180227
Substrate
n/a
Meas. Tech.
ChEMBL_330118 (CHEMBL863398)
Ki
17.4±n/a nM
Citation
 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Structure-activity relationships of 2-chloro-N6-substituted-4'-thioadenosine-5'-uronamides as highly potent and selective agonists at the human A3 adenosine receptor. J Med Chem 49:273-81 (2006) [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:
BDBM50180227
Synonyms:
(2S,3S,4R,5R)-N-(3-fluorobenzyl)-5-(2-chloro-6-(methylamino)-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide | CHEMBL200778
Type:
Small organic molecule
Emp. Form.:
C18H18ClFN6O3S
Mol. Mass.:
452.89
SMILES:
CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCc1cccc(F)c1
Structure:
Search PDB for entries with ligand similarity: