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Yorodumi- ChemComp-388: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACET... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 388 |
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Name | Name: ( Synonyms: IDD388 |
-Chemical information
Composition | Formula: C16H12BrClFNO4 / Number of atoms: 36 / Formula weight: 416.626 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 388 | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / DrugBank / Nikkaji / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | {OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 6 items
PDB-2iki:
Human aldose reductase complexed with halogenated IDD-type inhibitor
PDB-3lep:
Human Aldose Reductase mutant T113C in complex with IDD388
PDB-3lqg:
Human aldose reductase mutant T113A complexed with IDD388
PDB-3lz3:
Human aldose reductase mutant T113S complexed with IDD388
PDB-3m4h:
Human Aldose Reductase mutant T113V complexed with IDD388
PDB-5liu:
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor IDD388