Structure of PDB 4nk3 Chain A Binding Site BS01 |
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| Ligand ID | MK7 |
| InChI | InChI=1S/C12H22N4O6S/c17-8-16-7-10(15-22-23(19,20)21)1-2-11(16)12(18)14-9-3-5-13-6-4-9/h8-11,13,15H,1-7H2,(H,14,18)(H,19,20,21)/t10-,11+/m1/s1 |
| InChIKey | VGHMECNLFQGIJM-MNOVXSKESA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.6 | C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2 | | CACTVS 3.385 | O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NC2CCNCC2 | | ACDLabs 12.01 | O=CN2C(C(=O)NC1CCNCC1)CCC(NOS(=O)(=O)O)C2 | | CACTVS 3.385 | O[S](=O)(=O)ON[C@@H]1CC[C@H](N(C1)C=O)C(=O)NC2CCNCC2 | | OpenEye OEToolkits 1.7.6 | C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2 |
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| Formula | C12 H22 N4 O6 S |
| Name | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide;
MK-7655, bound form |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000098209180
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| PDB chain | 4nk3 Chain A Residue 401
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