Structure of PDB 1q95 Chain C Binding Site BS01 |
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Ligand ID | PAL |
InChI | InChI=1S/C6H10NO8P/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1 |
InChIKey | ZZKNRXZVGOYGJT-VKHMYHEASA-N |
SMILES | Software | SMILES |
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CACTVS 3.341 | OC(=O)C[CH](NC(=O)C[P](O)(O)=O)C(O)=O | CACTVS 3.341 | OC(=O)C[C@H](NC(=O)C[P](O)(O)=O)C(O)=O | ACDLabs 10.04 | O=C(NC(C(=O)O)CC(=O)O)CP(=O)(O)O | OpenEye OEToolkits 1.5.0 | C(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O | OpenEye OEToolkits 1.5.0 | C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O |
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Formula | C6 H10 N O8 P |
Name | N-(PHOSPHONACETYL)-L-ASPARTIC ACID |
ChEMBL | CHEMBL504802 |
DrugBank | DB03459 |
ZINC | ZINC000001563934
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PDB chain | 1q95 Chain B Residue 1002
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