Structure of PDB 5faq Chain A Binding Site BS01 |
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| Ligand ID | 5VW |
| InChI | InChI=1S/C11H20N4O7S/c16-7-15-6-8(13-22-23(18,19)20)1-2-10(15)11(17)14-21-9-3-4-12-5-9/h7-10,12-13H,1-6H2,(H,14,17)(H,18,19,20)/t8-,9+,10+/m1/s1 |
| InChIKey | RTYOMSYVLRQWIH-UTLUCORTSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.4 | C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NOC2CCNC2 | | OpenEye OEToolkits 2.0.4 | C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NO[C@H]2CCNC2 | | CACTVS 3.385 | O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NO[CH]2CCNC2 | | CACTVS 3.385 | O[S](=O)(=O)ON[C@@H]1CC[C@H](N(C1)C=O)C(=O)NO[C@H]2CCNC2 |
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| Formula | C11 H20 N4 O7 S |
| Name | [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate;
FPI-1465, bound form |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000263620995
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| PDB chain | 5faq Chain A Residue 305
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