Structure of PDB 6yzu Chain A Binding Site BS03 |
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| Ligand ID | Q4B |
| InChI | InChI=1S/C7H12B9NO2S/c17-20(18,19)5-3-1-2-4-7-6-8-10-9(7)13(7)11(6,7)12(6,8)14(8,10)15(9,10,13)16(11,12,13)14/h1-5H2,(H2,17,18,19) |
| InChIKey | GTLHEFZDKOVWKR-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | N[S](=O)(=O)CCCCC[C+]123[B-]45[B-]67[B+]89[C@@]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15 | | CACTVS 3.385 | N[S](=O)(=O)CCCCC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15 | | OpenEye OEToolkits 2.0.7 | B123B45B167B289B31B823B966B744B622C45C321CCCCCS(=O)(=O)N | | OpenEye OEToolkits 2.0.7 | B123B45B167B289B31B823B966B744B622[C@@]45C321CCCCCS(=O)(=O)N |
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| Formula | C7 H12 B9 N O2 S |
| Name | Carborane nido-pentyl-sulfonamide |
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| PDB chain | 6yzu Chain A Residue 303
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