Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50107087
Substrate
n/a
Meas. Tech.
ChEMBL_201910 (CHEMBL808200)
Ki
11.1±n/a nM
Citation
 Cao, J; Kulkarni, SS; Husbands, SM; Bowen, WD; Williams, W; Kopajtic, T; Katz, JL; George, C; Newman, AH Dual probes for the dopamine transporter and sigma1 receptors: novel piperazinyl alkyl-bis(4'-fluorophenyl)amine analogues as potential cocaine-abuse therapeutic agents. J Med Chem 46:2589-98 (2003) [PubMed]  Article 
Target
Name:
Sigma non-opioid intracellular receptor 1
Synonyms:
Aging-associated gene 8 protein | OPRS1 | SGMR1_HUMAN | SIG-1R | SIGMAR1 | SR-BP | SR31747-binding protein | SRBP | Sigma 1-type opioid receptor | Sigma opioid receptor | Sigma1R | hSigmaR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
25124.85
Organism:
Homo sapiens (Human)
Description:
Q99720
Residue:
223
Sequence:
MQWAVGRRWAWAALLLAVAAVLTQVVWLWLGTQSFVFQREEIAQLARQYAGLDHELAFSRLIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSRGHSGRYWAEISDTIISGTFHQWREGTTKSEVFYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPSTLAFALADTVFSTQDFLTLFYTLRSYARGLRLELTTYLFGQDP
  
Inhibitor
Name:
BDBM50107087
Synonyms:
CHEMBL313179 | {3-[(3R,5R)-3,5-Dimethyl-4-(3-phenyl-propyl)-piperazin-1-yl]-propyl}-bis-(4-fluoro-phenyl)-amine | {3-[3,5-Dimethyl-4-(3-phenyl-propyl)-piperazin-1-yl]-propyl}-bis-(4-fluoro-phenyl)-amine
Type:
Small organic molecule
Emp. Form.:
C30H37F2N3
Mol. Mass.:
477.6317
SMILES:
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1
Structure:
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