Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50137628
Substrate
n/a
Meas. Tech.
ChEMBL_1348912 (CHEMBL3271543)
Ki
3078±n/a nM
Citation
Bai, S; Li, S; Xu, J; Peng, X; Sai, K; Chu, W; Tu, Z; Zeng, C; Mach, RH Synthesis and structure-activity relationship studies of conformationally flexible tetrahydroisoquinolinyl triazole carboxamide and triazole substituted benzamide analogues ass2 receptor ligands. J Med Chem 57:4239-51 (2014) [PubMed] Article
More Info.:
Target
Name:
Sigma non-opioid intracellular receptor 1
Synonyms:
Opioid receptor, sigma 1 | Oprs1 | SGMR1_MOUSE | Sigma 1-type opioid receptor | Sigma1-receptor | Sigma1R | Sigmar1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
25246.51
Organism:
Mus musculus (Mouse)
Description:
O55242
Residue:
223
Sequence:
MPWAAGRRWAWITLILTIIAVLIQAAWLWLGTQNFVFSREEIAQLARQYAGLDHELAFSRLIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCILHASLSEYVLLFGTALGSHGHSGRYWAEISDTIISGTFHQWKEGTTKSEVFYPGETVVHGPGEATALEWGPNTWMVEYGRGVIPSTLFFALADTFFSTQDYLTLFYTLRAYARGLRLELTTYLFGQDS
Inhibitor
Name:
BDBM50137628
Synonyms:
CHEMBL1830682 | CHEMBL60048 | N-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-2-methoxy-5-methylbenzamide | N-[4-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-butyl]-2-methoxy-5-methyl-benzamide | [3H]-N-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-2-methoxy-5-methylbenzamide
Type:
Small organic molecule
Emp. Form.:
C24H32N2O4
Mol. Mass.:
412.5219
SMILES:
COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1