Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50521528
Substrate
n/a
Meas. Tech.
ChEMBL_1884526 (CHEMBL4386108)
Ki
4.9±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:
BDBM50521528
Synonyms:
CHEMBL4577975
Type:
Small organic molecule
Emp. Form.:
C22H31NO
Mol. Mass.:
325.4876
SMILES:
CN(CC1CCCCC1)[C@H]1CC[C@@]2(CC1)OC=Cc1ccccc21 |r,wU:12.16,wD:9.9,c:18,(46.76,-9.4,;46.76,-7.86,;45.43,-7.09,;44.09,-7.86,;42.76,-7.09,;41.42,-7.86,;41.42,-9.4,;42.75,-10.17,;44.09,-9.41,;48.1,-7.09,;49.44,-7.86,;50.78,-7.09,;50.77,-5.54,;49.43,-4.78,;48.1,-5.54,;50.77,-4,;52.11,-3.23,;53.43,-4,;53.43,-5.54,;54.75,-6.31,;54.75,-7.84,;53.42,-8.6,;52.13,-7.84,;52.11,-6.31,)|
Structure:
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