BioLiP

PDB

BioLiP

PDB CCD ID:

L4W

Number of entries in BioLiP:

Chemical formula:

C11 H17 N O3 S

InChI:

InChI=1S/C11H17NO3S/c1-2-3-4-9-15-10-5-7-11(8-6-10)16(12,13)14/h5-8H,2-4,9H2,1H3,(H2,12,13,14)

InChIKey:

JFSAJYVAWXIPQG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCOc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385	CCCCCOc1ccc(cc1)[S](N)(=O)=O

Name:

4-pentoxybenzenesulfonamide

ZINC:

ZINC000036533128

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).