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BioLiP

PDB CCD ID: 8U7
Number of entries in BioLiP: 1
Chemical formula: C14 H21 N3 O
InChI: InChI=1S/C14H21N3O/c1-15-14(18)16-13-7-9-17(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,15,16,18)
InChIKey: YCESGSGSKWSGFX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CNC(=O)NC1CCN(CC1)Cc2ccccc2
ACDLabs 12.01N(C)C(NC1CCN(CC1)Cc2ccccc2)=O
Name:N-(1-benzylpiperidin-4-yl)-N'-methylurea
ZINC: ZINC000032843700
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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