Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50026957
Substrate
n/a
Meas. Tech.
ChEMBL_201132 (CHEMBL805753)
IC50
15±n/a nM
Citation
 Myers, AM; Charifson, PS; Owens, CE; Kula, NS; McPhail, AT; Baldessarini, RJ; Booth, RG; Wyrick, SD Conformational analysis, pharmacophore identification, and comparative molecular field analysis of ligands for the neuromodulatory sigma 3 receptor. J Med Chem 37:4109-17 (1995) [PubMed]  Article 
Target
Name:
Sigma non-opioid intracellular receptor 1
Synonyms:
Aging-associated gene 8 protein | OPRS1 | SGMR1_HUMAN | SIG-1R | SIGMAR1 | SR-BP | SR31747-binding protein | SRBP | Sigma 1-type opioid receptor | Sigma opioid receptor | Sigma1R | hSigmaR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
25124.85
Organism:
Homo sapiens (Human)
Description:
Q99720
Residue:
223
Sequence:
MQWAVGRRWAWAALLLAVAAVLTQVVWLWLGTQSFVFQREEIAQLARQYAGLDHELAFSRLIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSRGHSGRYWAEISDTIISGTFHQWREGTTKSEVFYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPSTLAFALADTVFSTQDFLTLFYTLRSYARGLRLELTTYLFGQDP
  
Inhibitor
Name:
BDBM50026957
Synonyms:
(cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol(Flupentixol) | (trans-flupenthixol)2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol | 2-(4-{3-[2-Trifluoromethyl-thioxanthen-(9E)-ylidene]-propyl}-piperazin-1-yl)-ethanol | 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol | FLUPENTHIXOL, Alpha | FLUPENTHIXOL2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol | Flupenthixol | Flupenthixol, Beta
Type:
Small organic molecule
Emp. Form.:
C23H25F3N2OS
Mol. Mass.:
434.518
SMILES:
OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Structure:
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