Structure of PDB 1asc Chain A Binding Site BS01 |
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Ligand ID | NPL |
InChI | InChI=1S/C9H15N2O5P/c1-6-9(12)8(3-10)7(4-11(6)2)5-16-17(13,14)15/h4H,3,5,10H2,1-2H3,(H2-,12,13,14,15)/p+1 |
InChIKey | BDHMQTZHNOSTBZ-UHFFFAOYSA-O |
SMILES | Software | SMILES |
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CACTVS 3.341 | Cc1c(O)c(CN)c(CO[P](O)(O)=O)c[n+]1C | OpenEye OEToolkits 1.5.0 | Cc1c(c(c(c[n+]1C)COP(=O)(O)O)CN)O | ACDLabs 10.04 | O=P(O)(O)OCc1c[n+](c(c(O)c1CN)C)C |
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Formula | C9 H16 N2 O5 P |
Name | N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5-PHOSPHATE |
ChEMBL | |
DrugBank | |
ZINC | ZINC000006232635
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PDB chain | 1asc Chain A Residue 409
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