SEQ2FUN

BioLiP

PDB CCD ID: A1CVL
Number of entries in BioLiP: 1
Chemical formula: C17 H24 N2 O
InChI: InChI=1S/C17H24N2O/c20-17(15-7-4-8-15)18-16-9-11-19(12-10-16)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,18,20)
InChIKey: XUJMDQBYCUHWQE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(NC1CCN(CC1)Cc2ccccc2)C3CCC3
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)CN2CCC(CC2)NC(=O)C3CCC3
ACDLabs 14.52O=C(NC1CCN(Cc2ccccc2)CC1)C1CCC1
Name:N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).