Structure of PDB 6yj3 Chain A Binding Site BS02 |
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| Ligand ID | OSW |
| InChI | InChI=1S/2C5H8B9NO2S.Co/c2*15-18(16,17)3-1-2-5-4-6-8-7(5)11(5)9(4,5)10(4,6)12(6,8)13(7,8,11)14(9,10,11)12;/h2*1-3H2,(H2,15,16,17);/q;;+6 |
| InChIKey | DXWIVFNCHIEEQK-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCCS(=O)(=O)N)CCCS(=O)(=O)N | | CACTVS 3.385 | N[S](=O)(=O)CCC[C++]123[C+]45[B]678[B]149[B]6%10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%13%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%27%28[B]%25%29%30[B]%21%26%31[B]%29%32%33[B]%27%30%34[B]%18%32([B]%19%22%31%33)[C++]%24%28%34CCC[S](N)(=O)=O |
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| Formula | C10 H16 B18 Co N2 O4 S2 |
| Name | Metala-Carborane di-propyl-sulfonamide |
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| PDB chain | 6yj3 Chain A Residue 302
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