Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50137617
Substrate
n/a
Meas. Tech.
ChEMBL_748962 (CHEMBL1781410)
Ki
10412±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:
BDBM50137617
Synonyms:
CHEMBL64260 | N-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-methoxy-5-methyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C22H28N2O4
Mol. Mass.:
384.4687
SMILES:
COc1cc2CCN(CCNC(=O)c3cc(C)ccc3OC)Cc2cc1OC
Structure:
Search PDB for entries with ligand similarity: