BioLiP

PDB

BioLiP

PDB CCD ID:

AMS

Number of entries in BioLiP:

Chemical formula:

C6 H7 Hg N2 O2 S

InChI:

InChI=1S/C6H7N2O2S.Hg/c7-5-1-3-6(4-2-5)11(8,9)10;/h1,3-4H,7H2,(H2,8,9,10);

InChIKey:

KGGLGSZFQPTPPT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Nc1ccc(cc1[Hg])[S](N)(=O)=O
OpenEye OEToolkits 1.5.0	c1cc(c(cc1S(=O)(=O)N)[Hg])N
ACDLabs 10.04	O=S(=O)(c1cc([Hg])c(N)cc1)N

Name:

3-MERCURI-4-AMINOBENZENESULFONAMIDE

DrugBank:

DB04203

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).