SEQ2FUN

BioLiP

PDB CCD ID: 268
Number of entries in BioLiP: 1
Chemical formula: C8 H10 O2
InChI: InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey: QCDWFXQBSFUVSP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)OCCO
ACDLabs 10.04O(c1ccccc1)CCO
CACTVS 3.341OCCOc1ccccc1
Name:2-phenoxyethanol
ChEMBL: CHEMBL1229846
DrugBank: DB11304
ZINC: ZINC000001577061
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).