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BioLiP

PDB CCD ID: IY9
Number of entries in BioLiP: 2
Chemical formula: C9 H10 N3 O7 P
InChI: InChI=1S/C9H10N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-3,13H,4H2,(H2,10,11,14)(H2,15,16,17)
InChIKey: ZPERLPSVNPNRDZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2
OpenEye OEToolkits 2.0.7c1c(c(oc1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
Name:[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-furan-2-yl]methyl dihydrogen phosphate
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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