BioLiP

PDB

BioLiP

PDB CCD ID:

QA9

Number of entries in BioLiP:

Chemical formula:

C7 H10 N4 O2 S

InChI:

InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)

InChIKey:

BRBKOPJOKNSWSG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc(ccc1N)S(=O)(=O)NC(=N)N
CACTVS 3.385	NC(=N)N[S](=O)(=O)c1ccc(N)cc1
OpenEye OEToolkits 3.1.0.0	[H]/N=C(/N)\NS(=O)(=O)c1ccc(cc1)N

Name:

1-(4-aminophenyl)sulfonylguanidine

ChEMBL:

CHEMBL338802

DrugBank:

DB13726

ZINC:

ZINC000003873927

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).