SEQ2FUN

BioLiP

PDB CCD ID: A1CF8
Number of entries in BioLiP: 3
Chemical formula: C7 H6 B F O2
InChI: InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
InChIKey: LFQDNHWZDQTITF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52
CACTVS 3.385		OB1OCc2cc(F)ccc12
OpenEye OEToolkits 3.1.0.0B1(c2ccc(cc2CO1)F)O
Name:Tavaborole;
5-fluoro-2,1-benzoxaborol-1(3H)-ol
ChEMBL: CHEMBL443052
DrugBank: DB09041
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).