Structure of PDB 1xql Chain B Binding Site BS04 |
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| Ligand ID | PMH |
| InChI | InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19) |
| InChIKey | PXWFNGNWQUPGPJ-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 10.04 | O=P(O)(O)OCc1c(c(O)c(nc1)C)CNc2conc2O | | OpenEye OEToolkits 1.5.0 | Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O | | CACTVS 3.341 | Cc1ncc(CO[P](O)(O)=O)c(CNc2conc2O)c1O |
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| Formula | C11 H14 N3 O7 P |
| Name | (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
PMP-HYDROXYISOXAZOLE;
PYRIDOXAMINE-5-PHOSPHATE-HYDROXYISOXAZOLE |
| ChEMBL | |
| DrugBank | DB03097 |
| ZINC | ZINC000002046808
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| PDB chain | 1xql Chain B Residue 603
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