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BioLiP

PDB CCD ID: UB5
Number of entries in BioLiP: 1
Chemical formula: C12 H24 N2 O
InChI: InChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKey: ZVWQTTCMILVTNG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCNC(=O)N1CCC(CC1)C
CACTVS 3.385CCCCCNC(=O)N1CCC(C)CC1
Name:4-methyl-~{N}-pentyl-piperidine-1-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).
  • 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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