SEQ2FUN

BioLiP

PDB CCD ID: A1EAN
Number of entries in BioLiP: 3
Chemical formula: C15 H18 N2
InChI: InChI=1S/C15H18N2/c1-2-7-15-13(4-1)5-3-6-14(15)12-17-10-8-16-9-11-17/h1-7,16H,8-12H2
InChIKey: HGYDREHWXXUUIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CN(CCN1)Cc2cccc3ccccc23
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2CN3CCNCC3
Name:1-(naphthalen-1-ylmethyl)piperazine;
40675-81-8
ChEMBL: CHEMBL1673307
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).