BioLiP

PDB

BioLiP

PDB CCD ID:

A1AJ6

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O2 S

InChI:

InChI=1S/C6H14N2O2S/c1-11(9,10)8-6-2-4-7-5-3-6/h6-8H,2-5H2,1H3

InChIKey:

NAEICDPYHCEZMG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(C)(=O)NC1CCNCC1
OpenEye OEToolkits 2.0.7	CS(=O)(=O)NC1CCNCC1
CACTVS 3.385	C[S](=O)(=O)NC1CCNCC1

Name:

N-(piperidin-4-yl)methanesulfonamide

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).