SEQ2FUN

BioLiP

PDB CCD ID: WZS
Number of entries in BioLiP: 1
Chemical formula: C15 H22 N2 O
InChI: InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3
InChIKey: UKFIGIFDDSVHCR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2c(CCNC1CCN(C(C)=O)CC1)cccc2
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)N1CCC(CC1)NCCc2ccccc2
Name:1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one
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).