BioLiP

PDB

BioLiP

PDB CCD ID:

U7Z

Number of entries in BioLiP:

Chemical formula:

C18 H18 Cl N3 O4 S

InChI:

InChI=1S/C18H18ClN3O4S/c19-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)27(20,25)26/h1-8H,9-12H2,(H2,20,25,26)

InChIKey:

ZWAGEDFCAJXKDS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3Cl
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)Cl

Name:

4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide;
4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative

ChEMBL:

CHEMBL4632436

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).