Structure of PDB 8pnx Chain A Binding Site BS01 |
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| Ligand ID | PMP |
| InChI | InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14) |
| InChIKey | ZMJGSOSNSPKHNH-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 10.04 | O=P(O)(O)OCc1cnc(c(O)c1CN)C | | OpenEye OEToolkits 1.5.0 | Cc1c(c(c(cn1)COP(=O)(O)O)CN)O | | CACTVS 3.341 | Cc1ncc(CO[P](O)(O)=O)c(CN)c1O |
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| Formula | C8 H13 N2 O5 P |
| Name | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE |
| ChEMBL | CHEMBL1235353 |
| DrugBank | DB02142 |
| ZINC | ZINC000001532708
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| PDB chain | 8pnx Chain A Residue 301
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