BioLiP

PDB

BioLiP

PDB CCD ID:

VL0

Number of entries in BioLiP:

Chemical formula:

C20 H17 N O5 S

InChI:

InChI=1S/C20H17NO5S/c22-19-11-10-17(13-18(19)20(23)24)27(25,26)21-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13,21-22H,12H2,(H,23,24)

InChIKey:

RLHVRGDXIJZLQC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cc(ccc1O)[S](=O)(=O)Nc2ccc(Cc3ccccc3)cc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Cc2ccc(cc2)NS(=O)(=O)c3ccc(c(c3)C(=O)O)O

Name:

2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic 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).