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BioLiP

PDB CCD ID: 4KS
Number of entries in BioLiP: 7
Chemical formula: C7 H8 O2
InChI: InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKey: NWVVVBRKAWDGAB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(O)cc1
ACDLabs 12.01c1(O)ccc(cc1)OC
OpenEye OEToolkits 1.9.2COc1ccc(cc1)O
Name:4-methoxyphenol
ChEMBL: CHEMBL544
DrugBank: DB09516
ZINC: ZINC000000001684
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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