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BioLiP

PDB CCD ID: JZ3
Number of entries in BioLiP: 22
Chemical formula: C7 H8 O2
InChI: InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKey: LHGVFZTZFXWLCP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		COc1ccccc1O
ACDLabs 12.01Oc1ccccc1OC
Name:Guaiacol;
2-methoxyphenol
ChEMBL: CHEMBL13766
DrugBank: DB11359
ZINC: ZINC000013512224
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).
  • 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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