BioLiP

PDB

BioLiP

PDB CCD ID:

65T

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O5 S

InChI:

InChI=1S/C9H10N2O5S/c10-17(14,15)8-3-1-7(2-4-8)6-16-11-5-9(12)13/h1-5H,6H2,(H,12,13)(H2,10,14,15)/b11-5-

InChIKey:

GXYBLSAGRYTVJO-WZUFQYTHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1ccc(CON=CC(O)=O)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1CO/N=C/C(=O)O)S(=O)(=O)N
OpenEye OEToolkits 2.0.7	c1cc(ccc1CON=CC(=O)O)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1ccc(CO\N=C/C(O)=O)cc1

Name:

(2E)-2-[(4-sulfamoylphenyl)methoxyimino]ethanoic acid

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).