Reaction Details  Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50013962
Substrate
n/a
Meas. Tech.
ChEBML_201137
Ki
456±n/a nM
Citation
 de Costa, BR; Rice, KC; Bowen, WD; Thurkauf, A; Rothman, RB; Band, L; Jacobson, AE; Radesca, L; Contreras, PC; Gray, NM Synthesis and evaluation of N-substituted cis-N-methyl-2-(1-pyrrolidinyl)cyclohexylamines as high affinity sigma receptor ligands. Identification of a new class of highly potent and selective sigma receptor probes. J Med Chem 33:3100-10 (1990) [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:
BDBM50013962
Synonyms:
2-(2H-1,3-benzodioxol-5-yl)-N-methyl-N-[(2R)-2-(pyrrolidin-1-yl)cyclohexyl]acetamide | 2-Benzo[1,3]dioxol-5-yl-N-methyl-N-(2-pyrrolidin-1-yl-cyclohexyl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C20H28N2O3
Mol. Mass.:
344.4479
SMILES:
CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2OCOc2c1
Structure:
Search PDB for entries with ligand similarity: