Structure of PDB 7n7u Chain B Binding Site BS01 |
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| Ligand ID | 0MI |
| InChI | InChI=1S/C10H14N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,11,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1 |
| InChIKey | WPGIPVMLNBRRLK-XLPZGREQSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN=[N]=N)O | | OpenEye OEToolkits 2.0.7 | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N]=N)O | | CACTVS 3.385 | CC1=CN([CH]2C[CH](O)[CH](CN=[N]=N)O2)C(=O)NC1=O | | CACTVS 3.385 | CC1=CN([C@H]2C[C@H](O)[C@@H](CN=[N]=N)O2)C(=O)NC1=O |
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| Formula | C10 H14 N5 O4 |
| Name | 1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione |
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| PDB chain | 7n7u Chain B Residue 401
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