BioLiP

PDB

BioLiP

PDB CCD ID:

EJ2

Number of entries in BioLiP:

Chemical formula:

C3 H Fe N2 Ni O

InChI:

InChI=1S/2CN.CO.Fe.Ni/c3*1-2;;/q;;+1;;/p+1

InChIKey:

JIXQCBCEPWXSQU-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	[H+]([Fe](C#N)(C#N)C#[O+])[Ni]
CACTVS 3.385	[Ni][H+][Fe@@](C#N)(C#N)C#[O+]
CACTVS 3.385	[Ni][H+][Fe](C#N)(C#N)C#[O+]

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).