SEQ2FUN

BioLiP

PDB CCD ID: A1I28
Number of entries in BioLiP: 2
Chemical formula: C10 H13 N3 O
InChI: InChI=1S/C10H13N3O/c14-10(9-1-3-11-4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey: YLYAETTZHAUHNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(N1CCNCC1)c2ccncc2
OpenEye OEToolkits 2.0.7c1cnccc1C(=O)N2CCNCC2
Name:piperazin-1-yl(pyridin-4-yl)methanone
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).