SEQ2FUN

BioLiP

PDB CCD ID: 54U
Number of entries in BioLiP: 0
Chemical formula: C12 H16 N2 O2
InChI: InChI=1S/C12H16N2O2/c1-10(15)13-6-8-14(9-7-13)11-2-4-12(16)5-3-11/h2-5,16H,6-9H2,1H3
InChIKey: AGVNLFCRZULMKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(=O)N1CCN(CC1)c2ccc(cc2)O
CACTVS 3.385CC(=O)N1CCN(CC1)c2ccc(O)cc2
ACDLabs 12.01c2c(N1CCN(C(C)=O)CC1)ccc(c2)O
Name:1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
ChEMBL: CHEMBL202608
ZINC: ZINC000000105363
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).