Structure of PDB 3sn6 Chain R Binding Site BS01 |
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Ligand ID | P0G |
InChI | InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)/t17-/m0/s1 |
InChIKey | NWQXBEWHTDRJIP-KRWDZBQOSA-N |
SMILES | Software | SMILES |
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CACTVS 3.370 | Cc1ccccc1CC(C)(C)NC[CH](O)c2ccc(O)c3NC(=O)COc23 | ACDLabs 12.01 | O=C1Nc2c(O)ccc(c2OC1)C(O)CNC(C)(C)Cc3ccccc3C | OpenEye OEToolkits 1.7.0 | Cc1ccccc1CC(C)(C)NC[C@@H](c2ccc(c3c2OCC(=O)N3)O)O | CACTVS 3.370 | Cc1ccccc1CC(C)(C)NC[C@H](O)c2ccc(O)c3NC(=O)COc23 | OpenEye OEToolkits 1.7.0 | Cc1ccccc1CC(C)(C)NCC(c2ccc(c3c2OCC(=O)N3)O)O |
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Formula | C21 H26 N2 O4 |
Name | 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one |
ChEMBL | CHEMBL1615159 |
DrugBank | |
ZINC | ZINC000045302446
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PDB chain | 3sn6 Chain R Residue 1601
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Enzyme Commision number |
3.2.1.17: lysozyme. |
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