Reaction Details  Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50216057
Substrate
n/a
Meas. Tech.
ChEMBL_2265375
Ki
24±n/a nM
Citation
 Fallica, AN; Ciaffaglione, V; Modica, MN; Pittalą, V; Salerno, L; Amata, E; Marrazzo, A; Romeo, G; Intagliata, S Structure-activity relationships of mixed ? Bioorg Med Chem 73:0 (2022) [PubMed]
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:
BDBM50216057
Synonyms:
CHEMBL226539 | N-[6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl-butyl]-2-(2-fluoro-ethoxy)-5-methyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C25H33FN2O4
Mol. Mass.:
444.5389
SMILES:
COc1cc2CCN(CCCCNC(=O)c3cc(C)ccc3OCCF)Cc2cc1OC
Structure:
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