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BioLiP

PDB CCD ID: UPD
Number of entries in BioLiP: 1
Chemical formula: C14 H19 N3 O3
InChI: InChI=1S/C14H19N3O3/c1-10(18)17-7-5-11(6-8-17)14(19)16-12-3-4-13(20-2)15-9-12/h3-4,9,11H,5-8H2,1-2H3,(H,16,19)
InChIKey: ZIGOYOFMTWMITB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(NC(=O)C2CCN(CC2)C(C)=O)cn1
OpenEye OEToolkits 2.0.7CC(=O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC
ACDLabs 12.01N(c1cnc(cc1)OC)C(C2CCN(C(C)=O)CC2)=O
Name:1-acetyl-N-(6-methoxypyridin-3-yl)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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