BioLiP

PDB

BioLiP

PDB CCD ID:

UVN

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O4 S

InChI:

InChI=1S/C11H12N2O4S/c14-8-9-1-3-10(4-2-9)18(16,17)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15)

InChIKey:

AGWGMFBDKFNHRP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2
CACTVS 3.385	O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2

Name:

4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde

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).