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Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50336575
Substrate
n/a
Meas. Tech.
ChEMBL_725556 (CHEMBL1677638)
Ki
2980±n/a nM
Citation
 Di Fabio, R; Alvaro, G; Griffante, C; Pizzi, DA; Donati, D; Mattioli, M; Cimarosti, Z; Guercio, G; Marchioro, C; Provera, S; Zonzini, L; Montanari, D; Melotto, S; Gerrard, PA; Trist, DG; Ratti, E; Corsi, M Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clinical candidate. J Med Chem 54:1071-9 (2011) [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:
BDBM50336575
Synonyms:
CHEMBL1672054 | cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide
Type:
Small organic molecule
Emp. Form.:
C30H35F7N4O2
Mol. Mass.:
616.6133
SMILES:
C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN(CC1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Structure:
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