BioLiP

PDB

BioLiP

PDB CCD ID:

TZK

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O3 S

InChI:

InChI=1S/C11H15NO3S/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3

InChIKey:

NBTTYMBZXDHFCP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)S(=O)(=O)N2CCOCC2
CACTVS 3.385	Cc1ccc(cc1)[S](=O)(=O)N2CCOCC2

Name:

4-(4-methylphenyl)sulfonylmorpholine

ZINC:

ZINC000000028343

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).