Structure of PDB 4mkv Chain A Binding Site BS01 |
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| Ligand ID | RUB |
| InChI | InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1 |
| InChIKey | YAHZABJORDUQGO-NQXXGFSBSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O | | CACTVS 3.341 | O[CH](CO[P](O)(O)=O)[CH](O)C(=O)CO[P](O)(O)=O | | ACDLabs 10.04 | O=P(O)(O)OCC(O)C(O)C(=O)COP(=O)(O)O | | OpenEye OEToolkits 1.5.0 | C(C(C(C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O | | CACTVS 3.341 | O[C@H](CO[P](O)(O)=O)[C@@H](O)C(=O)CO[P](O)(O)=O |
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| Formula | C5 H12 O11 P2 |
| Name | RIBULOSE-1,5-DIPHOSPHATE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 4mkv Chain A Residue 501
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