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BioLiP Library

PDB CCD ID: DKX
Number of entries in BioLiP: 1
Chemical formula: C10 H13 F N2 O6
InChI: InChI=1S/C10H13FN2O6/c11-6-7(16)4(3-14)19-9(8(6)17)13-2-1-5(15)12-10(13)18/h1-2,4,6-9,14,16-17H,3H2,(H,12,15,18)/t4-,6+,7-,8-,9-/m1/s1
InChIKey: QGWLQEMDCINRKW-PMPOVCSBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)F)O
CACTVS 3.352OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=CC(=O)NC2=O
CACTVS 3.352OC[C@H]1O[C@H]([C@H](O)[C@@H](F)[C@@H]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O
Name:1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione;
1-(3-deoxy-3-fluoro-beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
1-(3-deoxy-3-fluoro-D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
1-(3-deoxy-3-fluoro-glucosyl)pyrimidine-2,4(1H,3H)-dione
ZINC: ZINC000049071938
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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