BioLiP

PDB

BioLiP

PDB CCD ID:

O5H

Number of entries in BioLiP:

Chemical formula:

C16 H20 N4 O3 S

InChI:

InChI=1S/C16H20N4O3S/c17-24(22,23)15-8-4-7-14(11-15)20-16(21)19-10-9-18-12-13-5-2-1-3-6-13/h1-8,11,18H,9-10,12H2,(H2,17,22,23)(H2,19,20,21)

InChIKey:

OSBIIXRLYSASNI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1cccc(NC(=O)NCCNCc2ccccc2)c1

Name:

1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea

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).