BioLiP

PDB

BioLiP

PDB CCD ID:

REQ

Number of entries in BioLiP:

Chemical formula:

C17 H12 N2 O3 Re

InChI:

InChI=1S/C14H12N2.3CO.Re/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;3*1-2;/h3-8H,1-2H3;;;;

InChIKey:

SINYNGNXCUIFTB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C3C)(C#O)(C#O)C#O
CACTVS 3.370	[Re]\|1(\|[C-]#[O+])(\|[C-]#[O+])(\|[C-]#[O+])\|n2ccc(C)c3ccc4c(C)ccn\|1c4c23

Name:

(1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)

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).