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| Ligand ID | EIF |
| InChI | InChI=1S/C11H15FN5O7P/c1-11(12)6(18)4(2-23-25(20,21)22)24-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1 |
| InChIKey | BOEZKCHYGLAVGV-GITKWUPZSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C]1(F)[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N | | CACTVS 3.385 | C[C@@]1(F)[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1n2cnc3C(=O)NC(=Nc23)N | | OpenEye OEToolkits 2.0.7 | C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O)F | | OpenEye OEToolkits 2.0.7 | CC1(C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O)F |
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| Formula | C11 H15 F N5 O7 P |
| Name | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8qch Chain E Residue 402
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[Download structure with residue number starting from 1]
[View ligand structure]
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