BioLiP

PDB

BioLiP

PDB CCD ID:

LJR

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O2 S

InChI:

InChI=1S/C8H17NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3

InChIKey:

PFWYRMPHHJKJBB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN[S](=O)(=O)CC1CCCCC1
OpenEye OEToolkits 2.0.7	CNS(=O)(=O)CC1CCCCC1
ACDLabs 12.01	O=S(=O)(CC1CCCCC1)NC

Name:

1-cyclohexyl-N-methylmethanesulfonamide

ZINC:

ZINC000042520684

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).