BioLiP

PDB

BioLiP

PDB CCD ID:

A1JKN

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O3 S

InChI:

InChI=1S/C4H9NO3S/c6-9(7,8)5-3-1-2-4-5/h1-4H2,(H,6,7,8)

InChIKey:

KQBOUIWARNMUDQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[S](=O)(=O)N1CCCC1
OpenEye OEToolkits 2.0.7	C1CCN(C1)S(=O)(=O)O

Name:

pyrrolidine-1-sulfonic 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).