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BioLiP

PDB CCD ID: 31Q
Number of entries in BioLiP: 0
Chemical formula: C10 H11 Hg N O4 S
InChI: InChI=1S/C7H5O2.C3H7NO2S.Hg/c8-7(9)6-4-2-1-3-5-6;4-2(1-7)3(5)6;/h2-5H,(H,8,9);2,7H,1,4H2,(H,5,6);/q;;+1/p-1/t;2-;/m.0./s1
InChIKey: YZXURPRJXJLGTJ-TYOUJGAFSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)O)[Hg]SCC(C(=O)O)N
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)O)[Hg]SC[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H](CS[Hg]c1ccc(cc1)C(O)=O)C(O)=O
CACTVS 3.385N[CH](CS[Hg]c1ccc(cc1)C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(N)CS[Hg]c1ccc(C(=O)O)cc1
Name:(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury
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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