BioLiP

PDB

BioLiP

PDB CCD ID:

NFR

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 10.04	N#C[Fe]([Ni])(C=O)C=O
OpenEye OEToolkits 1.5.0	C(=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, Lydia 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).