|
| Ligand ID | T3F |
| InChI | InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1 |
| InChIKey | KVYJLJOGNUNRJK-FQLHZTMTSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=P(OC1OC(C(O)C(N)C1O)C)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O | | CACTVS 3.341 | C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](N)[CH]1O | | OpenEye OEToolkits 1.5.0 | CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)N)O | | CACTVS 3.341 | C[C@H]1O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@@H](N)[C@H]1O | | OpenEye OEToolkits 1.5.0 | C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O |
|
| Formula | C16 H27 N3 O14 P2 |
| Name | (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;
thymidine-5'-diphosphate-alpha-D-3,6-dideoxy-3-aminogalactose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000058638663
|
| PDB chain | 4xd0 Chain A Residue 403
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
