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BioLiP

PDB CCD ID: AMS
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.341Nc1ccc(cc1[Hg])[S](N)(=O)=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1S(=O)(=O)N)[Hg])N
ACDLabs 10.04O=S(=O)(c1cc([Hg])c(N)cc1)N
Name:3-MERCURI-4-AMINOBENZENESULFONAMIDE
DrugBank: DB04203
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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