Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50401367
Substrate
n/a
Meas. Tech.
ChEMBL_884050 (CHEMBL2215099)
Ki
435±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:
BDBM50401367
Synonyms:
CHEMBL2205829
Type:
Small organic molecule
Emp. Form.:
C19H19NO3
Mol. Mass.:
309.3591
SMILES:
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
Structure:
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