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BioLiP

PDB CCD ID: FUP
Number of entries in BioLiP: 1
Chemical formula: C9 H13 F N2 O10 P2
InChI: InChI=1S/C9H13FN2O10P2/c10-5-3-8(12-2-1-7(13)11-9(12)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,11,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey: WLQBZMZTRNPUDL-SHYZEUOFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)F
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)F
CACTVS 3.341O[P](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H](C[C@@H]1F)N2C=CC(=O)NC2=O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2F
CACTVS 3.341O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](C[CH]1F)N2C=CC(=O)NC2=O
Name:2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'-DIPHOSPHATE;
FUDP
DrugBank: DB04068
ZINC: ZINC000012504122
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).
  • 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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