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Yorodumi- ChemComp-1S5: 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 1S5 |
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Name | Name: |
-Chemical information
Composition | Formula: C19H26N2O2 / Number of atoms: 49 / Formula weight: 314.422 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1S5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BKU | ||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
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-PDB entries
Showing all 3 items
PDB-4bku:
Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155
PDB-4oxk:
Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer
PDB-4oxn:
Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA