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BioLiP

PDB CCD ID: KJG
Number of entries in BioLiP: 2
Chemical formula: C18 H12 O4
InChI: InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H
InChIKey: HZKFHDXTSAYOSN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3)O
CACTVS 3.385OC1=C(C(=O)C(=C(C1=O)c2ccccc2)O)c3ccccc3
ACDLabs 12.01O=C1C(=C(O)C(=O)C(=C1O)c2ccccc2)c3ccccc3
Name:2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione
ChEMBL: CHEMBL480678
ZINC: ZINC000001676595
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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