BioLiP

PDB

BioLiP

PDB CCD ID:

WW6

Number of entries in BioLiP:

Chemical formula:

C15 H19 Cl N2 O2 S

InChI:

InChI=1S/C15H19ClN2O2S/c16-14-8-4-7-13-12(14)6-5-9-15(13)21(19,20)18-11-3-1-2-10-17/h4-9,18H,1-3,10-11,17H2

InChIKey:

SYLYAVTWUBDUGM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12
OpenEye OEToolkits 2.0.7	c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCN
ACDLabs 12.01	NCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl

Name:

N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide

ZINC:

ZINC000002169539

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).