Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50401379
Substrate
n/a
Meas. Tech.
ChEMBL_884050 (CHEMBL2215099)
Ki
4289±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:
BDBM50401379
Synonyms:
CHEMBL2205830
Type:
Small organic molecule
Emp. Form.:
C21H25NO4
Mol. Mass.:
355.4275
SMILES:
COc1cc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc(OC)c1OC |TLB:7:18:9.10:16,12:14:9.10:16,THB:8:9:18.14:16,17:18:8.11:6,9:8:18.14:6,11:10:18.14:16,15:14:8.11:6,10:11:18.14:6,5:6:8.11:18.14|
Structure:
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