BioLiP

PDB

BioLiP

PDB CCD ID:

W1A

Number of entries in BioLiP:

Chemical formula:

C7 H16 N2 O2 S

InChI:

InChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7-2-4-8-5-3-7/h7-9H,2-6H2,1H3

InChIKey:

LULUGSQUPICPQM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N1CCC(CC1)CNS(=O)(=O)C
OpenEye OEToolkits 2.0.7	CS(=O)(=O)NCC1CCNCC1
CACTVS 3.385	C[S](=O)(=O)NCC1CCNCC1

Name:

N-[(piperidin-4-yl)methyl]methanesulfonamide

ZINC:

ZINC000004298645

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).