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| Ligand ID | V7K |
| InChI | InChI=1S/C16H18N6O9S/c17-7(16(27)28)1-4-11(23)19-8(15(26)18-5-12(24)25)6-32-10-3-2-9(22(29)30)13-14(10)21-31-20-13/h2-3,7-8H,1,4-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/t7-,8-/m0/s1 |
| InChIKey | DLEOMDYTCAPLNH-YUMQZZPRSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(c2c(c1[N+](=O)[O-])non2)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N | | OpenEye OEToolkits 2.0.7 | c1cc(c2c(c1[N+](=O)[O-])non2)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N | | CACTVS 3.385 | N[CH](CCC(=O)N[CH](CSc1ccc(c2nonc12)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O | | CACTVS 3.385 | N[C@@H](CCC(=O)N[C@@H](CSc1ccc(c2nonc12)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O |
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| Formula | C16 H18 N6 O9 S |
| Name | (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7obo Chain AAA Residue 301
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