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BioLiP

PDB CCD ID: EXN
Number of entries in BioLiP: 2
Chemical formula: C20 H21 N2 O
InChI: InChI=1S/C20H20N2O/c1-3-22-18-9-6-14(13-21-2)11-17(18)16-8-7-15(12-19(16)22)20-5-4-10-23-20/h4-12,21H,3,13H2,1-2H3/p+1
InChIKey: UTFNBBWDJPFLJT-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C
CACTVS 3.385CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4occc4
Name:[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium
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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