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BioLiP Library

PDB CCD ID: VZK
Number of entries in BioLiP: 3
Chemical formula: C20 H21 N2
InChI: InChI=1S/C20H21N2/c1-21(2)20-9-8-18-14-17(6-7-19(18)15-20)5-4-16-10-12-22(3)13-11-16/h4-15H,1-3H3/q+1
InChIKey: LJEHGRUCASFWGC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)c1ccc2cc(C=Cc3cc[n+](C)cc3)ccc2c1
OpenEye OEToolkits 2.0.7C[n+]1ccc(cc1)/C=C/c2ccc3cc(ccc3c2)N(C)C
OpenEye OEToolkits 2.0.7C[n+]1ccc(cc1)C=Cc2ccc3cc(ccc3c2)N(C)C
CACTVS 3.385CN(C)c1ccc2cc(\C=C\c3cc[n+](C)cc3)ccc2c1
Name:~{N},~{N}-dimethyl-6-[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-amine
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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