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BioLiP

PDB CCD ID: TWE
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O2
InChI: InChI=1S/C14H14N2O2/c15-9-11-5-7-16(8-6-11)14(18)13-3-1-12(10-17)2-4-13/h1-4,10-11H,5-8H2
InChIKey: JTXBUBGZUJFNLQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=Cc1ccc(cc1)C(=O)N2CCC(CC2)C#N
OpenEye OEToolkits 2.0.7c1cc(ccc1C=O)C(=O)N2CCC(CC2)C#N
Name:1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile
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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