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BioLiP

PDB CCD ID: FT1
Number of entries in BioLiP: 6
Chemical formula: C13 H8 Cl2 O3
InChI: InChI=1S/C13H8Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-7,17H
InChIKey: GKHZEXMYTPRFKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1cc(C=O)ccc1Oc2ccc(Cl)cc2Cl
ACDLabs 12.01Clc2cc(Cl)ccc2Oc1ccc(C=O)cc1O
OpenEye OEToolkits 1.7.6c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl
Name:4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
ChEMBL: CHEMBL240804
ZINC: ZINC000096900552
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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