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BioLiP

PDB CCD ID: XZT
Number of entries in BioLiP: 1
Chemical formula: C10 H7 F2 N O2
InChI: InChI=1S/C10H7F2NO2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2
InChIKey: YZJWAYPUZVVMIA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1F)F)N2C(=O)CCC2=O
ACDLabs 12.01Fc1cc(F)c(cc1)N1C(=O)CCC1=O
CACTVS 3.385Fc1ccc(N2C(=O)CCC2=O)c(F)c1
Name:1-(2,4-difluorophenyl)pyrrolidine-2,5-dione
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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