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| Ligand ID | 2LJ |
| InChI | InChI=1S/C12H20N4O6/c1-2-3-13-8-10(15-12(22)16-11(8)21)14-4-6(18)9(20)7(19)5-17/h3,6-7,9,17-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t6-,7+,9-/m0/s1 |
| InChIKey | YCMPUNANLDFPQG-FHZGFTDOSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CCC=NC1=C(NC[C@H](O)[C@H](O)[C@H](O)CO)NC(=O)NC1=O | | OpenEye OEToolkits 2.0.6 | CC/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O | | CACTVS 3.385 | CCC=NC1=C(NC[CH](O)[CH](O)[CH](O)CO)NC(=O)NC1=O | | ACDLabs 12.01 | C1(=O)NC(NC(=C1\N=C\CC)NCC(O)C(O)C(O)CO)=O | | OpenEye OEToolkits 2.0.6 | CCC=NC1=C(NC(=O)NC1=O)NCC(C(C(CO)O)O)O |
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| Formula | C12 H20 N4 O6 |
| Name | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol;
5-(2-oxopropylideneamino)-6-D-ribitylaminouracil |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 4nqd Chain A Residue 301
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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