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BioLiP

PDB CCD ID: 3CA
Number of entries in BioLiP: 1
Chemical formula: C13 H8 Cl2 O3
InChI: InChI=1S/C13H8Cl2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
InChIKey: SKAFZYDMDHPPJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc2cc(Cl)ccc2c1ccc(O)c(C(=O)O)c1
CACTVS 3.341OC(=O)c1cc(ccc1O)c2ccc(Cl)cc2Cl
OpenEye OEToolkits 1.5.0c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O
Name:2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID
ChEMBL: CHEMBL123154
DrugBank: DB07047
ZINC: ZINC000016051803
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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