Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50299713
Substrate
n/a
Meas. Tech.
ChEMBL_588694 (CHEMBL1056845)
Ki
>5000±n/a nM
Citation
 Berardi, F; Abate, C; Ferorelli, S; Uricchio, V; Colabufo, NA; Niso, M; Perrone, R Exploring the importance of piperazine N-atoms for sigma(2) receptor affinity and activity in a series of analogs of 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28). J Med Chem 52:7817-28 (2009) [PubMed]  Article 
Target
Name:
Sigma non-opioid intracellular receptor 1
Synonyms:
OPRS1 | SGMR1_CAVPO | SIGMAR1 | Sigma 1-type opioid receptor | Sigma non-opioid intracellular receptor 1 | Sigma-1 receptor | Sigma1-receptor | Sigma1R | Sterol isomerase-like protein
Type:
Protein
Mol. Mass.:
25307.17
Organism:
Cavia porcellus (Guinea pig)
Description:
Q60492
Residue:
223
Sequence:
MQWAVGRRWLWVALFLAAVAVLTQIVWLWLGTQNFVFQREEIAQLARQYAGLDHELAFSKLIVELRRLHPVHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSPRHSGRYWAEISDTIISGTFHQWREGTTKSEVFYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPSTLGFALADTVFSTQDFLTLFYTLRVYARALQLELTTYLFGQDP
  
Inhibitor
Name:
BDBM50299713
Synonyms:
1-Cyclohexyl-1,4-dimethyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazinium Diiodide | CHEMBL573248
Type:
Small organic molecule
Emp. Form.:
C26H44N2O
Mol. Mass.:
400.6393
SMILES:
COc1cccc2C(CCC[N+]3(C)CC[N+](C)(CC3)C3CCCCC3)CCCc12 |(-8.47,-48.94,;-7.14,-48.17,;-7.14,-46.63,;-8.47,-45.86,;-8.47,-44.32,;-7.14,-43.55,;-5.81,-44.31,;-4.47,-43.53,;-4.47,-41.99,;-3.13,-41.22,;-1.8,-41.99,;-.47,-41.23,;-.48,-42.76,;.87,-42,;2.2,-41.24,;2.2,-39.7,;2.19,-38.16,;.87,-38.92,;-.47,-39.69,;3.54,-38.94,;4.87,-39.71,;6.2,-38.96,;6.22,-37.42,;4.89,-36.64,;3.54,-37.4,;-3.12,-44.32,;-3.12,-45.87,;-4.47,-46.64,;-5.81,-45.87,)|
Structure:
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