SEQ2FUN

BioLiP

PDB CCD ID: 4FA
Number of entries in BioLiP: 1
Chemical formula: C8 H9 F O
InChI: InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChIKey: MWUVGXCUHWKQJE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1CCO)F
ACDLabs 10.04Fc1ccc(cc1)CCO
CACTVS 3.341OCCc1ccc(F)cc1
Name:4-FLUOROPHENETHYL ALCOHOL
DrugBank: DB03669
ZINC: ZINC000000388332
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).