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BioLiP

PDB CCD ID: 1N2
Number of entries in BioLiP: 3
Chemical formula: C10 H12 N2 O4
InChI: InChI=1S/C10H12N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-6H2
InChIKey: ZFMTZVFTWHQGNQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1CCC(N1CCN2C(=O)CCC2=O)=O
CACTVS 3.385O=C1CCC(=O)N1CCN2C(=O)CCC2=O
OpenEye OEToolkits 1.9.2C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O
Name:1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione
ZINC: ZINC000138455635
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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