SEQ2FUN

BioLiP

PDB CCD ID: TF5
Number of entries in BioLiP: 2
Chemical formula: C14 H11 F3 O2
InChI: InChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2
InChIKey: AGXPXFPIOHNDAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCCOc1ccccc1c2ccc(F)c(F)c2F
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2ccc(c(c2F)F)F)OCCO
ACDLabs 10.04Fc2ccc(c1ccccc1OCCO)c(F)c2F
Name:2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL
DrugBank: DB08611
ZINC: ZINC000053683246
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).