Structure of PDB 6pgx Chain A Binding Site BS03 |
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| Ligand ID | OJ4 |
| InChI | InChI=1S/C18H24N2O8S2Te/c19-29(23,24)17-5-1-15(2-6-17)27-9-13(21)11-31-12-14(22)10-28-16-3-7-18(8-4-16)30(20,25)26/h1-8,13-14,21-22H,9-12H2,(H2,19,23,24)(H2,20,25,26)/t13-,14+ |
| InChIKey | JUPGTZUCOQORPY-OKILXGFUSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | N[S](=O)(=O)c1ccc(OC[CH](O)C[Te]C[CH](O)COc2ccc(cc2)[S](N)(=O)=O)cc1 | | ACDLabs 12.01 | c1cc(ccc1OCC(C[Te]CC(COc2ccc(cc2)S(N)(=O)=O)O)O)S(N)(=O)=O | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1OC[C@H](C[Te]C[C@H](COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N | | CACTVS 3.385 | N[S](=O)(=O)c1ccc(OC[C@H](O)C[Te]C[C@H](O)COc2ccc(cc2)[S](N)(=O)=O)cc1 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1OCC(C[Te]CC(COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N |
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| Formula | C18 H24 N2 O8 S2 Te |
| Name | 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide |
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| PDB chain | 6pgx Chain A Residue 303
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