Structure of PDB 6yol Chain A Binding Site BS02 |
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| Ligand ID | P5T |
| InChI | InChI=1S/C5H8B9NO2S/c15-18(16,17)3-1-2-5-6-4-7-8(5)12(5)11(5,6)9(4,6)10(4,7)13(7,8,12)14(9,10,11)12/h1-3H2,(H2,15,16,17) |
| InChIKey | JYHLIKURGVWBQK-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | N[S](=O)(=O)CCC[C+]123[B]45[B-]67[C]89[B]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)CCC[C+]123[B]45[B-]67[C@@]89[B]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 | B123B45B167B289B612B744B116B282[C@@]93B21C465CCCS(=O)(=O)N | | OpenEye OEToolkits 2.0.7 | B123B45B167B289B612B744B116B282C93B21C465CCCS(=O)(=O)N |
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| Formula | C5 H8 B9 N O2 S |
| Name | Meta-Nidocarborane propyl-sulfonamide |
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| PDB chain | 6yol Chain A Residue 302
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