Structure of PDB 8qcn Chain B Binding Site BS02 |
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| Ligand ID | QB9 |
| InChI | InChI=1S/C10H12N4O3S/c11-9-7(6-12-10(15)14-9)2-1-5-13-18(16,17)8-3-4-8/h6,8,13H,3-5H2,(H3,11,12,14,15) |
| InChIKey | IMYCWWNWNOANBE-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CC2 | | OpenEye OEToolkits 2.0.7 | C1CC1S(=O)(=O)NCC#CC2=CNC(=O)N=C2N |
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| Formula | C10 H12 N4 O3 S |
| Name | ~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide;
N-(3-(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-yn-1-yl)cyclopropanesulfonamide |
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| DrugBank | |
| ZINC |
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| PDB chain | 8qcn Chain B Residue 302
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