BioLiP

PDB

BioLiP

PDB CCD ID:

A1ELF

Number of entries in BioLiP:

Chemical formula:

C20 H16 N4 O3 S2

InChI:

InChI=1S/C20H16N4O3S2/c1-13-5-4-8-17(11-13)24-29(26,27)20-23-22-19(28-20)21-18(25)16-10-9-14-6-2-3-7-15(14)12-16/h2-12,24H,1H3,(H,21,22,25)

InChIKey:

SHYVRGLGJPAIBR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc(N[S](=O)(=O)c2sc(NC(=O)c3ccc4ccccc4c3)nn2)c1
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3ccc4ccccc4c3

Name:

N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide

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).