Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50180200
Substrate
n/a
Meas. Tech.
ChEMBL_330118 (CHEMBL863398)
Ki
41.9±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:
Human
Description:
P0DMS8
Residue:
318
Sequence:
MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
  
Inhibitor
Name:
BDBM50180200
Synonyms:
(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-isopentyl-tetrahydrothiophene-2-carboxamide | CHEMBL200919
Type:
Small organic molecule
Emp. Form.:
C22H26ClIN6O3S
Mol. Mass.:
616.903
SMILES:
CC(C)CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Structure:
Search PDB for entries with ligand similarity: