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BioLiP

PDB CCD ID: 49N
Number of entries in BioLiP: 1
Chemical formula: C10 H12 F3 N3
InChI: InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
InChIKey: FRFKCMNQNNNZNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c(nc1)N2CCNCC2)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1c(nccc1)N2CCNCC2
CACTVS 3.385FC(F)(F)c1cccnc1N2CCNCC2
Name:1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
ChEMBL: CHEMBL45663
ZINC: ZINC000002159227
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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