Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50180197
Substrate
n/a
Meas. Tech.
ChEMBL_2355096
Ki
0.380000±n/a nM
Citation
 Kim, G; Hou, X; Byun, WS; Kim, G; Jarhad, DB; Lee, G; Hyun, YE; Yu, J; Lee, CS; Qu, S; Warnick, E; Gao, ZG; Kim, JY; Ji, S; Shin, H; Choi, JR; Jacobson, KA; Lee, HW; Lee, SK; Jeong, LS Structure-Activity Relationship of Truncated 2,8-Disubstituted-Adenosine Derivatives as Dual A J Med Chem 66:12249-12265 (2023) [PubMed] 
Target
Name:
Adenosine receptor A3
Synonyms:
Adenosine A3 receptor | AA3R_RAT | Adora3 | Adenosine receptor A2a and A3
Type:
PROTEIN
Mol. Mass.:
36643.73
Organism:
Rat
Description:
ChEMBL_479910
Residue:
320
Sequence:
MKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALADIAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILRACRLCQTSDSLDSNLEQTTE
  
Inhibitor
Name:
BDBM50180197
Synonyms:
(2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide | (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide | CHEMBL200732
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Structure:
Search PDB for entries with ligand similarity: