SEQ2FUN

BioLiP

PDB CCD ID: A1CT2
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O
InChI: InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
InChIKey: GPEOAEVZTOQXLG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52Oc1ccc(cc1)N1CCNCC1
CACTVS 3.385Oc1ccc(cc1)N2CCNCC2
OpenEye OEToolkits 3.1.0.0c1cc(ccc1N2CCNCC2)O
Name:4-(piperazin-1-yl)phenol
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).