Structure of PDB 8pbu Chain A Binding Site BS01 |
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| Ligand ID | FOT |
| InChI | InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12) |
| InChIKey | SEHFUALWMUWDKS-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C1(=C(NC(=O)NC1=O)C(=O)O)F | | ACDLabs 10.04 | O=C(O)C1=C(F)C(=O)NC(=O)N1 | | CACTVS 3.341 | OC(=O)C1=C(F)C(=O)NC(=O)N1 |
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| Formula | C5 H3 F N2 O4 |
| Name | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID;
5-FLUOROOROTIC ACID |
| ChEMBL | CHEMBL1232805 |
| DrugBank | |
| ZINC | ZINC000001663959
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| PDB chain | 8pbu Chain A Residue 1901
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| Enzyme Commision number |
2.1.3.2: aspartate carbamoyltransferase.
3.5.1.2: glutaminase.
3.5.2.3: dihydroorotase.
6.3.4.16: carbamoyl-phosphate synthase (ammonia).
6.3.5.5: carbamoyl-phosphate synthase (glutamine-hydrolyzing). |
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