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BioLiP

PDB CCD ID: 5JF
Number of entries in BioLiP: 1
Chemical formula: C6 H4 Cl2 O
InChI: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
InChIKey: UMPSXRYVXUPCOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1c(Cl)cccc1O
CACTVS 3.385Oc1cccc(Cl)c1Cl
OpenEye OEToolkits 1.9.2c1cc(c(c(c1)Cl)Cl)O
Name:2,3-dichlorophenol
ChEMBL: CHEMBL16656
ZINC: ZINC000000388511
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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