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BioLiP Library

PDB CCD ID: BO6
Number of entries in BioLiP: 0
Chemical formula: C28 H25 N3
InChI: InChI=1S/C28H24N3/c1-30-15-11-21(12-16-30)3-5-23-7-9-27-25(19-23)26-20-24(8-10-28(26)29-27)6-4-22-13-17-31(2)18-14-22/h3-20H,1-2H3/q+1/p+1
InChIKey: LXYNXOVLEQWDLL-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385C[n+]1ccc(C=Cc2ccc3[nH]c4ccc(C=Cc5cc[n+](C)cc5)cc4c3c2)cc1
OpenEye OEToolkits 2.0.6C[n+]1ccc(cc1)/C=C/c2cc3c4c([nH]c3cc2)ccc(c4)/C=C/c5cc[n+](cc5)C
OpenEye OEToolkits 2.0.6C[n+]1ccc(cc1)C=Cc2ccc3c(c2)c4cc(ccc4[nH]3)C=Cc5cc[n+](cc5)C
CACTVS 3.385C[n+]1ccc(\C=C\c2ccc3[nH]c4ccc(/C=C/c5cc[n+](C)cc5)cc4c3c2)cc1
Name:3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole
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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