Structure of PDB 7adv Chain A Binding Site BS06 |
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| Ligand ID | R7N |
| InChI | InChI=1S/C24H27F2N5O6S/c25-17-2-1-16(19(26)12-17)14-29-23(32)20-21(27)18-11-15(13-28-22(18)31(34)24(20)33)3-9-38(35,36)10-6-30-4-7-37-8-5-30/h1-2,11-13,34H,3-10,14,27H2,(H,29,32) |
| InChIKey | TUOKQVWMLFSRNN-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCS(=O)(=O)CCN4CCOCC4)N | | CACTVS 3.385 | NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CC[S](=O)(=O)CCN4CCOCC4)cc13 |
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| Formula | C24 H27 F2 N5 O6 S |
| Name | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide;
INSTI XZ447 |
| ChEMBL | |
| DrugBank | |
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| PDB chain | 7adv Chain A Residue 404
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