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BioLiP Library

PDB CCD ID: XEN
Number of entries in BioLiP: 2
Chemical formula: C10 H18 N2 O
InChI: InChI=1S/C10H18N2O/c1-2-3-6-12-7-4-5-9(8-12)10(11)13/h8H,2-7H2,1H3,(H2,11,13)
InChIKey: QWLZGRCLLUCDGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCN1CCCC(=C1)C(N)=O
ACDLabs 12.01CCCCN1C=C(CCC1)C(=O)N
OpenEye OEToolkits 1.9.2CCCCN1CCCC(=C1)C(=O)N
Name:1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide
ZINC: ZINC000263620957
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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