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BioLiP

PDB CCD ID: FQP
Number of entries in BioLiP: 2
Chemical formula: C6 H8 F3 N3 O7 P2
InChI: InChI=1S/C6H8F3N3O7P2/c7-6(8,9)5-11-1-3(4(10)12-5)2-18-21(16,17)19-20(13,14)15/h1H,2H2,(H,16,17)(H2,10,11,12)(H2,13,14,15)
InChIKey: UKNJCTHTCAKKNG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=O)(O)O
CACTVS 3.341Nc1nc(ncc1CO[P@@](O)(=O)O[P](O)(O)=O)C(F)(F)F
ACDLabs 10.04FC(F)(F)c1nc(N)c(cn1)COP(=O)(O)OP(=O)(O)O
CACTVS 3.341Nc1nc(ncc1CO[P](O)(=O)O[P](O)(O)=O)C(F)(F)F
OpenEye OEToolkits 1.5.0c1c(c(nc(n1)C(F)(F)F)N)COP(=O)(O)OP(=O)(O)O
Name:4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE
DrugBank: DB07782
ZINC: ZINC000013517846
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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