Structure of PDB 1kj8 Chain B Binding Site BS03 |
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| Ligand ID | GAR |
| InChI | InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/p-2/t3-,5-,6-,7-/m1/s1 |
| InChIKey | OBQMLSFOUZUIOB-SHUUEZRQSA-L |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-] | | ACDLabs 10.04 | O=C(NC1OC(C(O)C1O)COP([O-])([O-])=O)CN | | CACTVS 3.341 | NCC(=O)N[CH]1O[CH](CO[P]([O-])([O-])=O)[CH](O)[CH]1O | | OpenEye OEToolkits 1.5.0 | C(C1C(C(C(O1)NC(=O)CN)O)O)OP(=O)([O-])[O-] | | CACTVS 3.341 | NCC(=O)N[C@@H]1O[C@H](CO[P]([O-])([O-])=O)[C@@H](O)[C@H]1O |
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| Formula | C7 H13 N2 O8 P |
| Name | GLYCINAMIDE RIBONUCLEOTIDE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1kj8 Chain B Residue 398
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