BioLiP

PDB

BioLiP

PDB CCD ID:

VHL

Number of entries in BioLiP:

Chemical formula:

C9 H6 N4 O3 Re

InChI:

InChI=1S/2C3H3N2.3CO.Re/c2*1-2-5-3-4-1;3*1-2;/h2*1-3H;;;;/q2*-1;;;;+3

InChIKey:

MWUHNOZKPZGOSW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re+](n1ccnc1)n2ccnc2
OpenEye OEToolkits 2.0.7	c1cn(cn1)[Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])n2ccnc2

Name:

Tricarbonyl di(imidazole) rhenium(I);
di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+)

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).