SEQ2FUN

BioLiP

PDB CCD ID: H04
Number of entries in BioLiP: 6
Chemical formula: C12 H18 N2 O
InChI: InChI=1S/C12H18N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKey: FBQIUSDQWOLCNY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1(CCNCC1)c2ccccc2OCC
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOc1ccccc1N2CCNCC2
Name:1-(2-ethoxyphenyl)piperazine
ChEMBL: CHEMBL273923
ZINC: ZINC000000120262
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).