SEQ2FUN

BioLiP

PDB CCD ID: A1AYA
Number of entries in BioLiP: 2
Chemical formula: C12 H18 N2 O
InChI: InChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,15H,6-10H2,1H3
InChIKey: TWPYBKBPHCMUIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN1CCN(CC1)c2ccccc2CO
ACDLabs 12.01CN1CCN(CC1)c1ccccc1CO
Name:[2-(4-methylpiperazin-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).