Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSigma non-opioid intracellular receptor 1
LigandBDBM50107092
Substrate/Competitorn/a
Meas. Tech.ChEMBL_202055 (CHEMBL809528)
Ki 1170±n/a nM
Citation Cao, JKulkarni, SSHusbands, SMBowen, WDWilliams, WKopajtic, TKatz, JLGeorge, CNewman, AH Dual probes for the dopamine transporter and sigma1 receptors: novel piperazinyl alkyl-bis(4'-fluorophenyl)amine analogues as potential cocaine-abuse therapeutic agents. J Med Chem46:2589-98 (2003) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Sigma non-opioid intracellular receptor 1
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:
MPWAVGRRWAWITLFLTIVAVLIQAVWLWLGTQSFVFQREEIAQLARQYAGLDHELAFSR
LIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSHGHSGRY
WAEISDTIISGTFHQWREGTTKSEVYYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPS
TLAFALSDTIFSTQDFLTLFYTLRAYARGLRLELTTYLFGQDP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50107092
n/a
NameBDBM50107092
Synonyms:(3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-dimethyl-piperazin-1-yl}-propyl)-bis-(4-fluoro-phenyl)-amine | (3-{4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-dimethyl-piperazin-1-yl}-propyl)-bis-(4-fluoro-phenyl)-amine | CHEMBL86830
TypeSmall organic molecule
Emp. Form.C29H33Cl2F2N3
Mol. Mass.532.495
SMILESC[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: