BioLiP

PDB

BioLiP

PDB CCD ID:

K4B

Number of entries in BioLiP:

Chemical formula:

C17 H19 N3 O3 S

InChI:

InChI=1S/C17H19N3O3S/c18-24(22,23)16-8-6-15(7-9-16)17(21)20-11-10-19(13-20)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,18,22,23)

InChIKey:

ZWNARYKSNTWUOM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(C2)Cc3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N

Name:

4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide

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).