BioLiP

PDB

BioLiP

PDB CCD ID:

A1AYV

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 O4 S

InChI:

InChI=1S/C7H6N2O4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)(H2,8,11,12)

InChIKey:

FKHFSNZMBFSMHO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1S(=O)(=O)N)OC(=O)N2
CACTVS 3.385	N[S](=O)(=O)c1ccc2NC(=O)Oc2c1
ACDLabs 12.01	NS(=O)(=O)c1ccc2NC(=O)Oc2c1

Name:

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

ChEMBL:

CHEMBL4554926

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).