SEQ2FUN

BioLiP

PDB CCD ID: SNV
Number of entries in BioLiP: 1
Chemical formula: C12 H19 N3 O
InChI: InChI=1S/C12H19N3O/c13-11-3-1-2-4-12(11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2
InChIKey: YZRHRBADADYIFX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)N)N2CCN(CC2)CCO
CACTVS 3.385Nc1ccccc1N2CCN(CCO)CC2
Name:2-[4-(2-aminophenyl)piperazin-1-yl]ethanol
ZINC: ZINC000020059395
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).