Structure of PDB 6yzl Chain A Binding Site BS02 |
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Ligand ID | Q3T |
InChI | InChI=1S/C3H4B10NO2S/c14-17(15,16)1-3-2-4(3)6(2)7(2)5(2,3)9(3)8(3,4)10(4,6)12(6,7)11(5,7,9)13(8,9,10)12/h1H2,(H2,14,15,16) |
InChIKey | OERSCPIETLGSDG-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | N[S](=O)(=O)C[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16 | OpenEye OEToolkits 2.0.7 | B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CS(=O)(=O)N |
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Formula | C3 H4 B10 N O2 S |
Name | Carborane methyl-sulfonamide |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 6yzl Chain A Residue 302
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