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BioLiP

PDB CCD ID: 261
Number of entries in BioLiP: 4
Chemical formula: C8 H10 O2
InChI: InChI=1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3
InChIKey: MOEFFSWKSMRFRQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCOc1ccccc1O
ACDLabs 10.04O(c1ccccc1O)CC
Name:2-ethoxyphenol
ChEMBL: CHEMBL225436
ZINC: ZINC000000404747
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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