BioLiP

PDB

BioLiP

PDB CCD ID:

HS4

Number of entries in BioLiP:

Chemical formula:

C14 H14 N2 O4 S

InChI:

InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)

InChIKey:

NKGRTRASISLCCZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=NC(=O)CNS(=O)(=O)c2ccc(c1ccccc1)cc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCC(=O)NO
CACTVS 3.385	ONC(=O)CN[S](=O)(=O)c1ccc(cc1)c2ccccc2

Name:

N-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide

ChEMBL:

CHEMBL550148

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).