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BioLiP

PDB CCD ID: WRF
Number of entries in BioLiP: 3
Chemical formula: C12 H12 N
InChI: InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKey: FMGYKKMPNATWHP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C[n+]1ccc(cc1)c2ccccc2
ACDLabs 12.01C[n+]1ccc(cc1)c1ccccc1
Name:1-methyl-4-phenylpyridin-1-ium
ChEMBL: CHEMBL311617
ZINC: ZINC000000967769
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).
  • 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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