Structure of PDB 6ouj Chain A Binding Site BS02 |
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| Ligand ID | N7V |
| InChI | InChI=1S/C15H13N3O6S/c1-9(10-2-4-11(5-3-10)18(20)21)17-13-8-12(25(16,22)23)6-7-14(13)24-15(17)19/h2-9H,1H3,(H2,16,22,23)/t9-/m0/s1 |
| InChIKey | VUWITMBBSGBZNQ-VIFPVBQESA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | c12c(ccc(c1)S(=O)(=O)N)OC(N2C(c3ccc(cc3)[N+]([O-])=O)C)=O | | OpenEye OEToolkits 2.0.7 | CC(c1ccc(cc1)[N+](=O)[O-])N2c3cc(ccc3OC2=O)S(=O)(=O)N | | CACTVS 3.385 | C[CH](N1C(=O)Oc2ccc(cc12)[S](N)(=O)=O)c3ccc(cc3)[N+]([O-])=O | | OpenEye OEToolkits 2.0.7 | C[C@@H](c1ccc(cc1)[N+](=O)[O-])N2c3cc(ccc3OC2=O)S(=O)(=O)N | | CACTVS 3.385 | C[C@H](N1C(=O)Oc2ccc(cc12)[S](N)(=O)=O)c3ccc(cc3)[N+]([O-])=O |
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| Formula | C15 H13 N3 O6 S |
| Name | 3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide |
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| PDB chain | 6ouj Chain A Residue 304
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