BioLiP

PDB

BioLiP

PDB CCD ID:

TNP

Number of entries in BioLiP:

Chemical formula:

C17 H19 N2

InChI:

InChI=1S/C17H19N2/c1-10-6-14-12(3)13(4)15-7-11(2)9-19(5)17(15)16(14)18-8-10/h6-9H,1-5H3/q+1

InChIKey:

FQTUZNACZKILMC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n2cc(cc3c(c(c1cc(c[n+](c1c23)C)C)C)C)C
OpenEye OEToolkits 1.7.6	Cc1cc2c(c(c3cc(c[n+](c3c2nc1)C)C)C)C
CACTVS 3.370	Cc1cnc2c(c1)c(C)c(C)c3cc(C)c[n+](C)c23

Name:

3,5,6,8-TETRAMETHYL-N-METHYL PHENANTHROLINIUM

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).