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BioLiP Library

PDB CCD ID: 6NZ
Number of entries in BioLiP: 2
Chemical formula: C14 H21 N O
InChI: InChI=1S/C14H21NO/c1-2-6-12-9-13(10-15-14(12)16)11-7-4-3-5-8-11/h9-11H,2-8H2,1H3,(H,15,16)
InChIKey: VGWMLHHFTHSIBB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCCC1=CC(=CNC1=O)C2CCCCC2
Name:5-cyclohexyl-3-propyl-1H-pyridin-2-one
ChEMBL: CHEMBL4435068
ZINC: ZINC000230473116
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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