BioLiP

PDB

BioLiP

PDB CCD ID:

EON

Number of entries in BioLiP:

Chemical formula:

C14 H15 N3 O5 S

InChI:

InChI=1S/C14H15N3O5S/c1-22-13-5-3-2-4-10(13)16-14(19)17-11-8-9(23(15,20)21)6-7-12(11)18/h2-8,18H,1H3,(H2,15,20,21)(H2,16,17,19)

InChIKey:

TYTZFKRSGVNIDM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N
CACTVS 3.385	COc1ccccc1NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O

Name:

1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

ChEMBL:

CHEMBL4282828

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).