Structure of PDB 1rtw Chain A Binding Site BS01 |
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Ligand ID | MP5 |
InChI | InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12) |
InChIKey | PKYFHKIYHBRTPI-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | Cc1ncc(c(n1)N)COP(=O)(O)O | CACTVS 3.341 | Cc1ncc(CO[P](O)(O)=O)c(N)n1 | ACDLabs 10.04 | O=P(O)(O)OCc1cnc(nc1N)C |
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Formula | C6 H10 N3 O4 P |
Name | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 1rtw Chain A Residue 1213
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Enzyme Commision number |
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