Structure of PDB 6wao Chain A Binding Site BS01 |
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| Ligand ID | TQG |
| InChI | InChI=1S/C14H15NO8/c16-11(15-10(14(21)22)4-5-12(17)18)7-23-9-3-1-2-8(6-9)13(19)20/h1-3,6,10H,4-5,7H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t10-/m0/s1 |
| InChIKey | ZYEJDCAIACBLPZ-JTQLQIEISA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)OCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O | | CACTVS 3.385 | OC(=O)CC[C@H](NC(=O)COc1cccc(c1)C(O)=O)C(O)=O | | CACTVS 3.385 | OC(=O)CC[CH](NC(=O)COc1cccc(c1)C(O)=O)C(O)=O | | ACDLabs 12.01 | O=C(O)CCC(C(O)=O)NC(COc1cccc(c1)C(O)=O)=O | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O |
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| Formula | C14 H15 N O8 |
| Name | N-[(3-carboxyphenoxy)acetyl]-L-glutamic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6wao Chain A Residue 501
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