BioLiP

PDB

BioLiP

PDB CCD ID:

FKE

Number of entries in BioLiP:

Chemical formula:

C18 H20 N2 O3 S

InChI:

InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23)

InChIKey:

JYNGEJUBPGKEKV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(CC2)c3ccccc3
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N

Name:

4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide

ChEMBL:

CHEMBL4437968

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).