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BioLiP

PDB CCD ID: T7G
Number of entries in BioLiP: 1
Chemical formula: C14 H18 N2 O3
InChI: InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19)
InChIKey: YKBMCZDLJSTFOC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O
ACDLabs 12.01N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O
Name:1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
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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