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BioLiP

PDB CCD ID: 5P3
Number of entries in BioLiP: 1
Chemical formula: C13 H9 Cl O3
InChI: InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
InChIKey: RJMZIUFNDNYWDU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2cc(c(c(c2)Cl)O)C(=O)O
CACTVS 3.370OC(=O)c1cc(cc(Cl)c1O)c2ccccc2
ACDLabs 12.01Clc1cc(cc(C(=O)O)c1O)c2ccccc2
Name:5-chloro-4-hydroxybiphenyl-3-carboxylic acid;
5-Phenyl,3-chlorosalicylic acid
ChEMBL: CHEMBL1275703
ZINC: ZINC000020593727
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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