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BioLiP Library

PDB CCD ID: W58
Number of entries in BioLiP: 1
Chemical formula: C13 H15 N
InChI: InChI=1S/C13H15N/c1-2-13(9-14-7-1)12-6-4-10-3-5-11(10)8-12/h2,4,6,8,14H,1,3,5,7,9H2
InChIKey: MOJPEWKNYNURQQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CC=C(CN1)c2ccc3CCc3c2
OpenEye OEToolkits 2.0.7c1cc2c(cc1C3=CCCNC3)CC2
Name:5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine
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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