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BioLiP

PDB CCD ID: XY7
Number of entries in BioLiP: 0
Chemical formula: C9 H12 F N2 O7 P
InChI: InChI=1S/C9H12FN2O7P/c10-6-7(14)4(3-18-20(16)17)19-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14,16-17H,3H2,(H,11,13,15)/t4-,6-,7-,8-/m0/s1
InChIKey: SAPVPALVILMUHE-PSQAKQOGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(O)O)O)F
CACTVS 3.385O[CH]1[CH](F)[CH](O[CH]1COP(O)O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.7C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(O)O)O)F
ACDLabs 12.01C2(NC(=O)N(C1OC(C(C1F)O)COP(O)O)C=C2)=O
CACTVS 3.385O[C@@H]1[C@H](F)[C@H](O[C@H]1COP(O)O)N2C=CC(=O)NC2=O
Name:1-[2-deoxy-5-O-(dihydroxyphosphanyl)-2-fluoro-beta-L-ribofuranosyl]pyrimidine-2,4(1H,3H)-dione
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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