| PDB CCD ID: | 46Z |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C12 H16 F O7 P |
| InChI: | InChI=1S/C12H16FO7P/c13-9-10(14)12(19-11(9)15)20-21(16,17)18-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-15H,6-7H2,(H,16,17)/t9-,10-,11-,12+/m0/s1 |
| InChIKey: | SMTSAPKONQAWEG-FIQHERPVSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | O[C@H]1O[C@H](O[P](O)(=O)OCCc2ccccc2)[C@@H](O)[C@@H]1F | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)CCOP(=O)(O)OC2C(C(C(O2)O)F)O | | CACTVS 3.370 | O[CH]1O[CH](O[P](O)(=O)OCCc2ccccc2)[CH](O)[CH]1F | | ACDLabs 12.01 | O=P(O)(OC1OC(O)C(F)C1O)OCCc2ccccc2 | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)CCO[P@](=O)(O)O[C@@H]2[C@H]([C@@H]([C@H](O2)O)F)O |
|
| Name: | (2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate;
Inhibitor CZ-46 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form |
| ZINC: | ZINC000098208477 |
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