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BioLiP Library

PDB CCD ID: 8YH
Number of entries in BioLiP: 2
Chemical formula: C11 H22 N2 O
InChI: InChI=1S/C11H22N2O/c1-3-4-7-12-11(14)13-8-5-10(2)6-9-13/h10H,3-9H2,1-2H3,(H,12,14)
InChIKey: GASMLRFTKRLWLW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCNC(=O)N1CCC(CC1)C
CACTVS 3.385CCCCNC(=O)N1CCC(C)CC1
Name:~{N}-butyl-4-methyl-piperidine-1-carboxamide
ZINC: ZINC000006726755
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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