BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2A

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O3 S

InChI:

InChI=1S/C9H12N2O3S/c12-9-4-3-8(7-10-9)15(13,14)11-5-1-2-6-11/h3-4,7H,1-2,5-6H2,(H,10,12)

InChIKey:

QOYWWWXFIYKITJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CCN(C1)S(=O)(=O)C2=CNC(=O)C=C2
CACTVS 3.385	O=C1NC=C(C=C1)[S](=O)(=O)N2CCCC2

Name:

5-pyrrolidin-1-ylsulfonyl-1~{H}-pyridin-2-one

ChEMBL:

CHEMBL1700369

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).