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BioLiP

PDB CCD ID: C2U
Number of entries in BioLiP: 3
Chemical formula: C7 H4 Cl2 O3
InChI: InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey: CNJGWCQEGROXEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1cc(Cl)cc(Cl)c1O
ACDLabs 10.04Clc1cc(Cl)cc(C(=O)O)c1O
OpenEye OEToolkits 1.5.0c1c(cc(c(c1C(=O)O)O)Cl)Cl
Name:3,5-dichloro-2-hydroxybenzoic acid
ChEMBL: CHEMBL449129
ZINC: ZINC000000409156
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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