BioLiP

PDB

BioLiP

PDB CCD ID:

LZ4

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl N4 O2 S

InChI:

InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)

InChIKey:

RSNSGNZRUMHXAY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N
ACDLabs 10.04	Clc2nc(Nc1ccc(cc1)S(=O)(=O)N)cnc2
CACTVS 3.341	N[S](=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1

Name:

4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide

ChEMBL:

CHEMBL487738

DrugBank:

DB08134

ZINC:

ZINC000016052861

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).