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BioLiP

PDB CCD ID: VP3
Number of entries in BioLiP: 1
Chemical formula: C10 H9 F O3
InChI: InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChIKey: WUYWHIAAQYQKPP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCC(=O)c1ccc(F)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)CCC(=O)O)F
ACDLabs 12.01O=C(CCC(=O)O)c1ccc(F)cc1
Name:4-(4-fluorophenyl)-4-oxobutanoic acid
ChEMBL: CHEMBL3544869
ZINC: ZINC000000128838
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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