Reaction Details  Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50037134
Substrate
n/a
Meas. Tech.
ChEMBL_201285 (CHEMBL805775)
Ki
21±n/a nM
Citation
 Cheng, CY; Hsin, LW; Tsai, MC; Schmidt, WK; Smith, C; Tam, SW Synthesis and opioid activity of 7-oxygenated 2,3,4,4a,5,6,7,7a-octahydro-1H-benzofuro[3,2-e]isoquinolin-9-ols. J Med Chem 37:3121-7 (1994) [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:
BDBM50037134
Synonyms:
(+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,7aalpha-octahydro-1H-benzo[4,5]furo[3,2-e]isoquinolin-9-ol | (+/-)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,7aalpha-octahydro-1H-benzo[4,5]furo[3,2-e]isoquinolin-9-ol | (-)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,7aalpha-octahydro-1H-benzo[4,5]furo[3,2-e]isoquinolin-9-ol | (4aR,7aS,12bS)-3-Cyclopropylmethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-8-oxa-3-aza-benzo[d]fluoren-9-ol | CHEMBL104042
Type:
Small organic molecule
Emp. Form.:
C19H25NO2
Mol. Mass.:
299.4073
SMILES:
Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Structure:
Search PDB for entries with ligand similarity: