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BioLiP

PDB CCD ID: 6E3
Number of entries in BioLiP: 5
Chemical formula: C10 H12 N2 O2
InChI: InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3
InChIKey: VWKNUUOGGLNRNZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=C(C)C(=O)N2N1C(=C(C)C2=O)C
OpenEye OEToolkits 2.0.4CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C
ACDLabs 12.01O=C1C(=C(C)N2N1C(C(C)=C2C)=O)C
Name:2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
ZINC: ZINC000014983633
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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