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BioLiP

PDB CCD ID: XZO
Number of entries in BioLiP: 1
Chemical formula: C10 H7 Cl2 N O2
InChI: InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2
InChIKey: CFZLNRGUBAVQNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1cc(Cl)cc(c1)N1C(=O)CCC1=O
OpenEye OEToolkits 2.0.7c1c(cc(cc1Cl)Cl)N2C(=O)CCC2=O
CACTVS 3.385Clc1cc(Cl)cc(c1)N2C(=O)CCC2=O
Name:1-(3,5-dichlorophenyl)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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