BioLiP

PDB

BioLiP

PDB CCD ID:

YPV

Number of entries in BioLiP:

Chemical formula:

C17 H19 N O5 S

InChI:

InChI=1S/C17H19NO5S/c1-2-3-4-12-5-7-13(8-6-12)18-24(22,23)14-9-10-16(19)15(11-14)17(20)21/h5-11,18-19H,2-4H2,1H3,(H,20,21)

InChIKey:

AJISVEXLPBAKLT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCc1ccc(cc1)NS(=O)(=O)c2ccc(c(c2)C(=O)O)O
CACTVS 3.385	CCCCc1ccc(N[S](=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1
ACDLabs 12.01	Oc1ccc(cc1C(=O)O)S(=O)(=O)Nc1ccc(CCCC)cc1

Name:

5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid

ZINC:

ZINC000002685254

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).