BioLiP

PDB

BioLiP

PDB CCD ID:

NWN

Number of entries in BioLiP:

Chemical formula:

C3 H4 Fe N2 Ni O

InChI:

InChI=1S/2CN.CH3O.Fe.Ni.H/c3*1-2;;;/h;;2H,1H2;;;/q;;;;+2;-1

InChIKey:

ZUFDVORDBCYGRI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	[H-]([Fe](CO)(C#N)C#N)[Ni+2]
CACTVS 3.385	[Ni++][H-][Fe](CO)(C#N)C#N
ACDLabs 12.01	[Ni+2][H-][Fe](C#N)(C#N)CO

Name:

hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappaC)(hydroxymethyl)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).