BioLiP

PDB

BioLiP

PDB CCD ID:

A1AY4

Number of entries in BioLiP:

Chemical formula:

C8 H8 N2 O4 S

InChI:

InChI=1S/C8H8N2O4S/c1-10-6-3-2-5(15(9,12)13)4-7(6)14-8(10)11/h2-4H,1H3,(H2,9,12,13)

InChIKey:

WVYDXZCZMWDPOV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C(=O)Oc2cc(ccc12)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7	CN1c2ccc(cc2OC1=O)S(=O)(=O)N
ACDLabs 12.01	NS(=O)(=O)c1ccc2c(c1)OC(=O)N2C

Name:

3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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).