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BioLiP

PDB CCD ID: XH5
Number of entries in BioLiP: 2
Chemical formula: C5 H8 N2 O2
InChI: InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1
InChIKey: NBAKTGXDIBVZOO-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C[C@H]1CNC(=O)NC1=O
ACDLabs 12.01O=C1NC(=O)C(C)CN1
OpenEye OEToolkits 2.0.7CC1CNC(=O)NC1=O
CACTVS 3.385C[CH]1CNC(=O)NC1=O
Name:(5S)-5-methyl-1,3-diazinane-2,4-dione
ZINC: ZINC000006481415
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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