BioLiP

PDB

BioLiP

PDB CCD ID:

N7J

Number of entries in BioLiP:

Chemical formula:

C7 H7 N3 O4 S

InChI:

InChI=1S/C7H7N3O4S/c8-15(12,13)4-1-2-6-5(3-4)9-7(10-11)14-6/h1-3,11H,(H,9,10)(H2,8,12,13)

InChIKey:

LFVGWDIBDCWZBB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2
ACDLabs 12.01	c1c(ccc2c1N/C(O2)=N/O)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1ccc2OC(Nc2c1)=NO
CACTVS 3.385	N[S](=O)(=O)c1ccc2OC(\Nc2c1)=N/O

Name:

(2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-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).