Structure of PDB 5tbb Chain A Binding Site BS06 |
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| Ligand ID | 43X |
| InChI | InChI=1S/C8H11FN3O6PS/c9-4-1-12(8(13)11-7(4)10)5-3-20-6(18-5)2-17-19(14,15)16/h1,5-6H,2-3H2,(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1 |
| InChIKey | WQOMZMVXTRGMHZ-NTSWFWBYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO[P](O)(O)=O)O2 | | CACTVS 3.385 | NC1=NC(=O)N(C=C1F)[C@@H]2CS[C@H](CO[P](O)(O)=O)O2 | | ACDLabs 12.01 | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)CS2 | | OpenEye OEToolkits 1.7.6 | C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=C(C(=NC2=O)N)F | | OpenEye OEToolkits 1.7.6 | C1C(OC(S1)COP(=O)(O)O)N2C=C(C(=NC2=O)N)F |
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| Formula | C8 H11 F N3 O6 P S |
| Name | [(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate;
FTC-MP |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000077292053
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| PDB chain | 5tbb Chain P Residue 101
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