SEQ2FUN

BioLiP

PDB CCD ID: S7A
Number of entries in BioLiP: 2
Chemical formula: C7 H11 F3 N2 O
InChI: InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2
InChIKey: RUISULBDMIMYAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)(F)CC(=O)N1CCNCC1
OpenEye OEToolkits 2.0.6C1CN(CCN1)C(=O)CC(F)(F)F
Name:3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one
ZINC: ZINC000022148031
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).