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BioLiP

PDB CCD ID: TIU
Number of entries in BioLiP: 8
Chemical formula: C3 H6 N4 O3
InChI: InChI=1S/C3H6N4O3/c4-1(8)6-3(10)7-2(5)9/h(H6,4,5,6,7,8,9,10)
InChIKey: WNVQBUHCOYRLPA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)NC(=O)NC(N)=O
ACDLabs 12.01NC(NC(=O)NC(N)=O)=O
OpenEye OEToolkits 2.0.7C(=O)(N)NC(=O)NC(=O)N
Name:tricarbonodiimidic diamide
ZINC: ZINC000004582770
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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