Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50443229
Substrate
n/a
Meas. Tech.
ChEMBL_1277048 (CHEMBL3088517)
Ki
580±n/a nM
Citation
 Torres-Gómez, H; Lehmkuhl, K; Schepmann, D; Wünsch, B Design, synthesis and receptor affinity of novel conformationally restricteds ligands based on the [4.3.3]propellane scaffold. Eur J Med Chem 70:78-87 (2013) [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:
BDBM50443229
Synonyms:
CHEMBL3086333
Type:
Small organic molecule
Emp. Form.:
C28H36N2O3
Mol. Mass.:
448.597
SMILES:
COc1ccc(C)cc1NC(=O)OC1CC23CC(CC2(C1)CCCC3)NCc1ccccc1 |(10.28,-21.74,;11.61,-20.98,;11.61,-19.44,;10.28,-18.67,;10.28,-17.12,;11.61,-16.35,;11.6,-14.81,;12.94,-17.12,;12.95,-18.67,;14.28,-19.43,;15.62,-18.66,;15.61,-17.12,;16.95,-19.43,;18.28,-18.66,;19.75,-17.82,;21.23,-18.67,;22.67,-17.81,;23.62,-18.82,;22.26,-18.63,;20.5,-20.2,;19.63,-19.01,;22.15,-21.35,;22.53,-22.67,;23.26,-21.13,;21.66,-20.06,;24.95,-19.59,;26.28,-18.82,;27.62,-19.59,;27.61,-21.13,;28.95,-21.9,;30.28,-21.13,;30.28,-19.58,;28.94,-18.82,)|
Structure:
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