Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50521509
Substrate
n/a
Meas. Tech.
ChEMBL_1884526 (CHEMBL4386108)
Ki
19±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:
BDBM50521509
Synonyms:
CHEMBL4445822
Type:
Small organic molecule
Emp. Form.:
C22H33NO2
Mol. Mass.:
343.5029
SMILES:
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:10.26,wD:13.17,(15.73,-32.02,;14.4,-32.79,;14.39,-34.32,;15.72,-35.1,;15.72,-36.64,;17.04,-37.41,;17.04,-38.94,;15.7,-39.7,;14.41,-38.93,;14.39,-37.4,;13.06,-36.64,;13.07,-38.18,;11.73,-38.96,;10.39,-38.19,;10.39,-36.64,;11.72,-35.87,;9.05,-38.96,;7.71,-38.19,;6.38,-38.96,;5.05,-38.19,;3.71,-38.95,;3.7,-40.5,;5.04,-41.27,;6.38,-40.51,;13.06,-35.1,)|
Structure:
Search PDB for entries with ligand similarity: