SEQ2FUN

BioLiP

PDB CCD ID: GNW
Number of entries in BioLiP: 2
Chemical formula: C11 H15 Cl N2
InChI: InChI=1S/C11H15ClN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2
InChIKey: JTEQMTYOCBFLNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cccc(CN2CCNCC2)c1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)Cl)CN2CCNCC2
Name:1-[(3-chlorophenyl)methyl]piperazine
ChEMBL: CHEMBL4470374
ZINC: ZINC000019230053
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).