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| Ligand ID | 3AM |
| InChI | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | LNQVTSROQXJCDD-KQYNXXCUSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3O)CO | | OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O)N | | CACTVS 3.341 | Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@H]3O | | OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N | | CACTVS 3.341 | Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O |
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| Formula | C10 H14 N5 O7 P |
| Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate;
3'-AMP |
| ChEMBL | CHEMBL576739 |
| DrugBank | |
| ZINC | ZINC000001631259
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| PDB chain | 3it3 Chain B Residue 343
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