BioLiP

PDB

BioLiP

PDB CCD ID:

UHT

Number of entries in BioLiP:

Chemical formula:

C14 H19 N O3 S

InChI:

InChI=1S/C14H19NO3S/c1-15(13-5-3-2-4-6-13)19(17,18)14-9-7-12(11-16)8-10-14/h7-11,13H,2-6H2,1H3

InChIKey:

WNAONUSEYNPQAW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C=O
CACTVS 3.385	CN(C1CCCCC1)[S](=O)(=O)c2ccc(C=O)cc2

Name:

~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide

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).