SEQ2FUN

BioLiP

PDB CCD ID: DVQ
Number of entries in BioLiP: 1
Chemical formula: C8 H18 N2 O2
InChI: InChI=1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2
InChIKey: VARKIGWTYBUWNT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCN1CCN(CCO)CC1
OpenEye OEToolkits 2.0.6C1CN(CCN1CCO)CCO
Name:2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
ChEMBL: CHEMBL118235
ZINC: ZINC000019363644
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).