BioLiP

PDB

BioLiP

PDB CCD ID:

J52

Number of entries in BioLiP:

Chemical formula:

C4 Fe N2 Ni O2

InChI:

InChI=1S/2CN.2CO.Fe.Ni/c4*1-2;;/q;;;+1;;

InChIKey:

MJFCHCXJXOCHFY-UHFFFAOYSA-N

SMILES:

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

Name:

dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron

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).