BioLiP

PDB

BioLiP

PDB CCD ID:

YEB

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O3 S

InChI:

InChI=1S/C6H14N2O3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h3-6H2,1-2H3

InChIKey:

OPFOHHASSCNHHQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(N1CCOCC1)N(C)C
CACTVS 3.385	CN(C)[S](=O)(=O)N1CCOCC1
OpenEye OEToolkits 2.0.7	CN(C)S(=O)(=O)N1CCOCC1

Name:

N,N-dimethylmorpholine-4-sulfonamide

ZINC:

ZINC000001718240

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).