BioLiP

PDB

BioLiP

PDB CCD ID:

5XT

Number of entries in BioLiP:

Chemical formula:

C18 H15 N O4 S

InChI:

InChI=1S/C18H15NO4S/c20-17-11-8-15(12-18(17)21)19-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,19-21H

InChIKey:

OGGBNPCRZSBOOJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O
CACTVS 3.385	Oc1ccc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)cc1O

Name:

~{N}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide

ZINC:

ZINC000584905289

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).