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Yorodumi- ChemComp-5RE: (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5RE |
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Name | Name: ( |
-Chemical information
Composition | Formula: C25H25FN2O3 / Number of atoms: 56 / Formula weight: 420.476 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5RE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5EQG | ||||
History |
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External links | UniChem / ChEMBL / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.4 | ( |
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-PDB entries
Showing all 1 items
PDB-5eqg:
Human GLUT1 in complex with inhibitor (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide