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BioLiP

PDB CCD ID: U7I
Number of entries in BioLiP: 3
Chemical formula: C10 H13 F N2 O5
InChI: InChI=1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8-,10-/m1/s1
InChIKey: ARKKGZQTGXJVKW-VPCXQMTMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(C(C(OC1N2C=CC(=O)NC2=O)CO)O)F
CACTVS 3.385C[C]1(F)[CH](O)[CH](CO)O[CH]1N2C=CC(=O)NC2=O
ACDLabs 12.01O=C1NC(=O)N(C=C1)C1OC(CO)C(O)C1(C)F
OpenEye OEToolkits 2.0.7C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O)F
CACTVS 3.385C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N2C=CC(=O)NC2=O
Name:2'-deoxy-2'-fluoro-2'-methyluridine;
PSI-6206
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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