BioLiP

PDB

BioLiP

PDB CCD ID:

A1EBD

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O3 S

InChI:

InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)

InChIKey:

UGBJGGRINDTHIH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CNCCC1S(=O)(=O)O
CACTVS 3.385	O[S](=O)(=O)C1CCNCC1

Name:

piperidine-4-sulfonic acid

ChEMBL:

CHEMBL34155

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).