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BioLiP

PDB CCD ID: IY0
Number of entries in BioLiP: 2
Chemical formula: C9 H10 N3 O8 P
InChI: InChI=1S/C9H10N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)
InChIKey: KCVPKYRTVHKUFJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2O
OpenEye OEToolkits 2.0.7C1=CN(C(=O)N=C1N)c2c(c(c(o2)COP(=O)(O)O)O)O
Name:[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(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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