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BioLiP Library

PDB CCD ID: FEM
Number of entries in BioLiP: 2
Chemical formula: C16 H17 Fe N O2
InChI: InChI=1S/C11H12NO2.C5H5.Fe/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9;1-2-4-5-3-1;/h1-4H,5-8H2;1-5H;
InChIKey: OWBVXAMOKWDXAV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([CH]3=[CH]5C64)[CH]2=[CH]7C8[CH]9=[CH]12
CACTVS 3.385O=C1CCC(=O)N1CCC2=C[C@@H]([Fe]C3C=CC=C3)C=C2
OpenEye OEToolkits 2.0.7C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([C@H]4[CH]5=[CH]63)[CH]2=[CH]7C8[CH]9=[CH]12
CACTVS 3.385O=C1CCC(=O)N1CCC2=C[CH]([Fe]C3C=CC=C3)C=C2
Name:N-(2-FERROCENYLETHYL)MALEIMIDE

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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