Structure of PDB 6y2j Chain BBB Binding Site BS01 |
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| Ligand ID | O6W |
| InChI | InChI=1S/C13H13F3N2O2S/c14-13(15,16)5-1-7-21(19,20)18-12-3-2-11-9-17-6-4-10(11)8-12/h2-4,6,8-9,18H,1,5,7H2 |
| InChIKey | MPUJMWAAXOTDHM-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1cc2cnccc2cc1NS(=O)(=O)CCCC(F)(F)F | | CACTVS 3.385 | FC(F)(F)CCC[S](=O)(=O)Nc1ccc2cnccc2c1 |
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| Formula | C13 H13 F3 N2 O2 S |
| Name | 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6y2j Chain BBB Residue 903
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