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BioLiP Library

PDB CCD ID: C0E
Number of entries in BioLiP: 1
Chemical formula: C12 H8 F2 O4
InChI: InChI=1S/C12H8F2O4/c13-8-3-1-7(2-4-8)10(15)6-5-9(14)11(16)12(17)18/h1-6,16H,(H,17,18)/b6-5+,11-9-
InChIKey: CPZFGNOKCMJZFO-BTHQEHEQSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1ccc(F)cc1)\C=CC(/F)=C(/O)C(=O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F
CACTVS 3.341OC(=O)C(O)=C(F)C=CC(=O)c1ccc(F)cc1
CACTVS 3.341OC(=O)\C(O)=C(\F)/C=C/C(=O)c1ccc(F)cc1
Name:3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
DrugBank: DB07510
ZINC: ZINC000058631354
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)(download the PDF file).
  • 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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