SEQ2FUN

BioLiP

PDB CCD ID: ETF
Number of entries in BioLiP: 59
Chemical formula: C2 H3 F3 O
InChI: InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
InChIKey: RHQDFWAXVIIEBN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCC(F)(F)F
ACDLabs 10.04FC(F)(F)CO
OpenEye OEToolkits 1.5.0C(C(F)(F)F)O
Name:TRIFLUOROETHANOL
ChEMBL: CHEMBL116675
DrugBank: DB03226
ZINC: ZINC000003860799
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).