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Target
Adenosine receptor A3
Ligand
BDBM50178305
Substrate
n/a
Meas. Tech.
ChEMBL_1880498 (CHEMBL4381892)
Ki
967±n/a nM
Citation
 Scheeff, S; Rivière, S; Ruiz, J; Abdelrahman, A; Schulz-Fincke, AC; Köse, M; Tiburcy, F; Wieczorek, H; Gütschow, M; Müller, CE; Menche, D Synthesis of Novel Potent Archazolids: Pharmacology of an Emerging Class of Anticancer Drugs. J Med Chem 63:1684-1698 (2020) [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:
BDBM50178305
Synonyms:
ARCHAZOLID A
Type:
Small organic molecule
Emp. Form.:
C42H62N2O7S
Mol. Mass.:
739.016
SMILES:
CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)\C(C)=C\C\C(C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C |t:21,25,31,34,37,47,49|
Structure:
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