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BioLiP

PDB CCD ID: TNP
Number of entries in BioLiP: 0
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:
SoftwareSMILES
ACDLabs 12.01n2cc(cc3c(c(c1cc(c[n+](c1c23)C)C)C)C)C
OpenEye OEToolkits 1.7.6Cc1cc2c(c(c3cc(c[n+](c3c2nc1)C)C)C)C
CACTVS 3.370Cc1cnc2c(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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