BioLiP

PDB

BioLiP

PDB CCD ID:

VJO

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O4 S

InChI:

InChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3

InChIKey:

AUBOIJRZDYWMPQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CS(=O)(=O)Nc1ccc2OCCOc2c1
OpenEye OEToolkits 2.0.7	CS(=O)(=O)Nc1ccc2c(c1)OCCO2
CACTVS 3.385	C[S](=O)(=O)Nc1ccc2OCCOc2c1

Name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide

ZINC:

ZINC000003947380

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).