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BioLiP

PDB CCD ID: FGZ
Number of entries in BioLiP: 1
Chemical formula: C7 H4 Cl2 O3
InChI: InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKey: AULKDLUOQCUNOK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1cc(Cl)c(O)c(Cl)c1)O
OpenEye OEToolkits 2.0.4c1c(cc(c(c1Cl)O)Cl)C(=O)O
CACTVS 3.385OC(=O)c1cc(Cl)c(O)c(Cl)c1
Name:3,5-dichloro-4-hydroxybenzoic acid
ZINC: ZINC000000156492
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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