BioLiP

PDB

BioLiP

PDB CCD ID:

VVJ

Number of entries in BioLiP:

Chemical formula:

C9 H19 N O2 S

InChI:

InChI=1S/C9H19NO2S/c1-10(13(2,11)12)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3

InChIKey:

UXPPTRFZLSZETL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C1CCCCCC1)S(=O)(=O)C
CACTVS 3.385	CN(C1CCCCCC1)[S](C)(=O)=O
ACDLabs 12.01	N(S(=O)(=O)C)(C1CCCCCC1)C

Name:

N-cycloheptyl-N-methylmethanesulfonamide

ZINC:

ZINC000065576535

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).