Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50344429
Substrate
n/a
Meas. Tech.
ChEMBL_1884526 (CHEMBL4386108)
Ki
538±n/a nM
Citation
 Kronenberg, E; Weber, F; Brune, S; Schepmann, D; Almansa, C; Friedland, K; Laurini, E; Pricl, S; Wünsch, B Synthesis and Structure-Affinity Relationships of Spirocyclic Benzopyrans with Exocyclic Amino Moiety. J Med Chem 62:4204-4217 (2019) [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:
BDBM50344429
Synonyms:
CHEMBL1779993 | trans-N-Benzyl-3-methoxy-3,4-dihydrospiro-[[2]benzopyran-1,1'-cyclohexan]-4'-amine
Type:
Small organic molecule
Emp. Form.:
C22H27NO2
Mol. Mass.:
337.4553
SMILES:
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:10.26,wD:13.17,(24.78,6.63,;23.43,5.86,;23.43,4.32,;24.77,3.54,;24.76,2,;26.08,1.24,;26.08,-.29,;24.75,-1.06,;23.42,-.29,;23.43,1.24,;22.09,2,;21.33,.65,;19.6,1.28,;18.41,.86,;19.18,2.21,;20.82,1.59,;18.41,-.69,;19.75,-1.47,;19.74,-3.01,;18.4,-3.77,;18.39,-5.31,;19.72,-6.09,;21.06,-5.32,;21.07,-3.78,;22.09,3.54,)|
Structure:
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