BioLiP

PDB

BioLiP

PDB CCD ID:

DP4

Number of entries in BioLiP:

Chemical formula:

C14 H23 N O Si

InChI:

InChI=1S/C14H23NOSi/c1-15(16)11-9-14(10-12-15)17(2,3)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-,15+

InChIKey:

HDJXTRKZEHHECC-GASCZTMLSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C[N@+]1([O-])CC[C@H](CC1)[Si](C)(C)c2ccccc2
OpenEye OEToolkits 1.7.0	C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-]
ACDLabs 12.01	[O-][N+]2(CCC([Si](c1ccccc1)(C)C)CC2)C
CACTVS 3.370	C[N+]1([O-])CC[CH](CC1)[Si](C)(C)c2ccccc2

Name:

(1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide

DrugBank:

DB07672

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).