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| Ligand ID | 2L4 |
| InChI | InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1 |
| InChIKey | PUEQUELBQOQOOV-GJQDMXJLSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.370 | OC[CH](O)[CH](O)[CH](O)CNC1=C(N=CC=O)C(=O)NC(=O)N1 | | CACTVS 3.370 | OC[C@@H](O)[C@@H](O)[C@@H](O)CNC1=C(N=CC=O)C(=O)NC(=O)N1 | | OpenEye OEToolkits 1.7.6 | C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=CC=O | | ACDLabs 12.01 | O=C1NC(NCC(O)C(O)C(O)CO)=C(\N=C\C=O)C(=O)N1 | | OpenEye OEToolkits 1.7.6 | C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O |
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| Formula | C11 H16 N4 O7 |
| Name | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol;
5-(2-oxoethylideneamino)-6-D-ribitylaminouracil |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000097654292
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| PDB chain | 4nqe Chain C Residue 301
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