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Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50344629
Substrate
n/a
Meas. Tech.
ChEMBL_748962 (CHEMBL1781410)
Ki
20±n/a nM
Citation
 Banister, SD; Moussa, IA; Jorgensen, WT; Chua, SW; Kassiou, M Molecular hybridization of 4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecane-3-ol with sigma (s) receptor ligands modulates off-target activity and subtype selectivity. Bioorg Med Chem Lett 21:3622-6 (2011) [PubMed]  Article 
Target
Name:
Sigma non-opioid intracellular receptor 1
Synonyms:
Opioid receptor | Oprs1 | SGMR1_RAT | Sigma | Sigma non-opioid intracellular receptor 1 | Sigma opioid receptor | Sigma-1 | Sigmar1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
25266.54
Organism:
RAT
Description:
Q9R0C9
Residue:
223
Sequence:
MPWAVGRRWAWITLFLTIVAVLIQAVWLWLGTQSFVFQREEIAQLARQYAGLDHELAFSRLIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSHGHSGRYWAEISDTIISGTFHQWREGTTKSEVYYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPSTLAFALSDTIFSTQDFLTLFYTLRAYARGLRLELTTYLFGQDP
  
Inhibitor
Name:
BDBM50344629
Synonyms:
CHEMBL1779059 | N-(2-(4-methoxy-3-phenethoxyphenyl)ethyl)-4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecan-3-ol
Type:
Small organic molecule
Emp. Form.:
C28H31NO3
Mol. Mass.:
429.5506
SMILES:
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OCCc1ccccc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
Structure:
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