SEQ2FUN

BioLiP

PDB CCD ID: A1AXJ
Number of entries in BioLiP: 1
Chemical formula: C13 H20 N2 O
InChI: InChI=1S/C13H20N2O/c1-2-14-7-9-15(10-8-14)13-6-4-3-5-12(13)11-16/h3-6,16H,2,7-11H2,1H3
InChIKey: KRYOTUHYCVJRAS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CCN1CCN(CC1)c1ccccc1CO
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCN1CCN(CC1)c2ccccc2CO
Name:[2-(4-ethylpiperazin-1-yl)phenyl]methanol
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).