Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50401376
Substrate
n/a
Meas. Tech.
ChEMBL_884050 (CHEMBL2215099)
Ki
15±n/a nM
Citation
 Banister, SD; Manoli, M; Doddareddy, MR; Hibbs, DE; Kassiou, M As(1) receptor pharmacophore derived from a series of N-substituted 4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecan-3-ols (AHDs). Bioorg Med Chem Lett 22:6053-8 (2012) [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:
BDBM50401376
Synonyms:
CHEMBL2205812
Type:
Small organic molecule
Emp. Form.:
C20H23NO2
Mol. Mass.:
309.4021
SMILES:
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |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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