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BioLiP

PDB CCD ID: GLL
Number of entries in BioLiP: 7
Chemical formula: C4 H6 N4 O2
InChI: InChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+
InChIKey: VPVSTMAPERLKKM-XIXRPRMCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C12C(NC(=O)N1)NC(=O)N2
ACDLabs 10.04O=C1NC2NC(=O)NC2N1
CACTVS 3.341O=C1N[C@@H]2NC(=O)N[C@@H]2N1
CACTVS 3.341O=C1N[CH]2NC(=O)N[CH]2N1
Name:GLYCOLURIL
DrugBank: DB03533
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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