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BioLiP

PDB CCD ID: AAS
Number of entries in BioLiP: 1
Chemical formula: C8 H10 Hg N2 O4 S
InChI: InChI=1S/C6H7N2O2S.C2H4O2.Hg/c7-5-1-3-6(4-2-5)11(8,9)10;1-2(3)4;/h1,3-4H,7H2,(H2,8,9,10);1H3,(H,3,4);/q;;+1/p-1
InChIKey: CEDUTBARXJHKFU-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)O[Hg]c1cc(ccc1N)S(=O)(=O)N
CACTVS 3.341CC(=O)O[Hg]c1cc(ccc1N)[S](N)(=O)=O
ACDLabs 10.04O=S(=O)(c1cc([Hg]OC(=O)C)c(N)cc1)N
Name:3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE
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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