BioLiP

PDB

BioLiP

PDB CCD ID:

9SQ

Number of entries in BioLiP:

Chemical formula:

C7 H5 Fe2 N3 O3 Se2

InChI:

InChI=1S/C2H7NSe2.2CN.3CO.2Fe/c4-1-3-2-5;5*1-2;;/h3-5H,1-2H2;;;;;;;/q;;;;2*+1;;

InChIKey:

PHBGCQLNCRESHS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1NC[Se]2[Fe]3([Se]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]
CACTVS 3.385	O=C1[Fe]([Se]CNC[Se][Fe]1(C#N)C#[O+])(C#N)C#[O+]

Name:

dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethaneselenato- 1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+)

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).