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BioLiP

PDB CCD ID: EMT
Number of entries in BioLiP: 15
Chemical formula: C9 H10 Hg O2 S
InChI: InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1
InChIKey: HXQVQGWHFRNKMS-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)c1ccccc1S[Hg]CC
CACTVS 3.341CC[Hg]Sc1ccccc1C(O)=O
OpenEye OEToolkits 1.5.0CC[Hg]Sc1ccccc1C(=O)O
Name:2-(ETHYLMERCURI-THIO)-BENZOIC ACID
DrugBank: DB02731
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)(download the PDF file).
  • 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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