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BioLiP Library

PDB CCD ID: DFT
Number of entries in BioLiP: 0
Chemical formula: C12 H15 F2 O6 P
InChI: InChI=1S/C12H15F2O6P/c1-6-2-7(9(14)3-8(6)13)11-4-10(15)12(20-11)5-19-21(16,17)18/h2-3,10-12,15H,4-5H2,1H3,(H2,16,17,18)/t10-,11+,12+/m0/s1
InChIKey: NMMWBGNJJMNAIJ-QJPTWQEYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(OCC2OC(c1cc(c(F)cc1F)C)CC2O)(O)O
OpenEye OEToolkits 1.5.0Cc1cc(c(cc1F)F)C2CC(C(O2)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0Cc1cc(c(cc1F)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.341Cc1cc([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)c(F)cc1F
CACTVS 3.341Cc1cc([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)c(F)cc1F
Name:1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE
DrugBank: DB07652
ZINC: ZINC000053683130
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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