SEQ2FUN

BioLiP

PDB CCD ID: VEL
Number of entries in BioLiP: 1
Chemical formula: C8 H8 F2 O2
InChI: InChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2
InChIKey: HSIDWXYUJAUALR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1CO)OC(F)F
ACDLabs 12.01FC(F)Oc1ccc(cc1)CO
CACTVS 3.385OCc1ccc(OC(F)F)cc1
Name:[4-(difluoromethoxy)phenyl]methanol
ZINC: ZINC000000160555
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).