SEQ2FUN

BioLiP

PDB CCD ID: 5NR
Number of entries in BioLiP: 6
Chemical formula: C14 H22 N2
InChI: InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
InChIKey: PCNDXYHWLSHXMV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)CC2CCN(CC2)CCN
CACTVS 3.385NCCN1CCC(CC1)Cc2ccccc2
Name:2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
ChEMBL: CHEMBL3780926
ZINC: ZINC000019367229
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).