BioLiP

PDB

BioLiP

PDB CCD ID:

NFU

Number of entries in BioLiP:

Chemical formula:

C3 H Fe N2 Ni O

InChI:

InChI=1S/2CN.CHO.Fe.Ni/c3*1-2;;/h;;1H;;

InChIKey:

QCZROEOIPZWDEO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	[Ni]\|[Fe](C=O)(C#N)C#N
ACDLabs 12.01	N#C[Fe]([Ni])(C#N)C=O
OpenEye OEToolkits 1.7.0	C(=O)[Fe](C#N)(C#N)[Ni]

Name:

formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni);
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).