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BioLiP

PDB CCD ID: NF2
Number of entries in BioLiP: 0
Chemical formula: C12 H15 F2 O7 P
InChI: InChI=1S/C12H15F2O7P/c1-5-2-6(8(14)3-7(5)13)12-11(16)10(15)9(21-12)4-20-22(17,18)19/h2-3,9-12,15-16H,4H2,1H3,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1
InChIKey: DMROPYMHNVLDPZ-KKOKHZNYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1cc([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c(F)cc1F
CACTVS 3.341Cc1cc([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c(F)cc1F
ACDLabs 10.04O=P(OCC2OC(c1cc(c(F)cc1F)C)C(O)C2O)(O)O
OpenEye OEToolkits 1.5.0Cc1cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc(c(cc1F)F)C2C(C(C(O2)COP(=O)(O)O)O)O
Name:(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-METHYLPHENYL)-5-O-PHOSPHONO-D-RIBITOL
ZINC: ZINC000058638767
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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