BioLiP

PDB

BioLiP

PDB CCD ID:

8LL

Number of entries in BioLiP:

Chemical formula:

C22 H34 N2 O4 S

InChI:

InChI=1S/C22H34N2O4S/c1-4-5-6-7-15-27-17-18-28-16-14-23-29(25,26)22-13-9-10-19-20(22)11-8-12-21(19)24(2)3/h8-13,23H,4-7,14-18H2,1-3H3

InChIKey:

ZQDZHRAPTBKCCR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
CACTVS 3.385	CCCCCCOCCOCCN[S](=O)(=O)c1cccc2c(cccc12)N(C)C

Name:

5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide

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).