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BioLiP

PDB CCD ID: NFR
Number of entries in BioLiP: 1
Chemical formula: C3 H2 Fe N Ni O2
InChI: InChI=1S/CN.2CHO.Fe.Ni/c3*1-2;;/h;2*1H;;
InChIKey: WWDMWDTTWHCODG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04N#C[Fe]([Ni])(C=O)C=O
OpenEye OEToolkits 1.5.0C(=O)[Fe](C=O)(C#N)[Ni]
CACTVS 3.341[Ni]|[Fe](C=O)(C=O)C#N
Name:NI-FE REDUCED ACTIVE CENTER
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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