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Yorodumi- ChemComp-8L9: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluo... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8L9 |
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Name | Name: |
-Chemical information
Composition | Formula: C20H14BrCl2FN2O6S2 / Number of atoms: 48 / Formula weight: 612.273 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8L9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5Y2F | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 4 items
PDB-5y2f:
Human SIRT6 in complex with allosteric activator MDL-801
PDB-6xv1:
Human Sirt6 13-308 in complex with ADP-ribose and the activator MDL-801
PDB-6xvg:
Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801
PDB-7cl1:
Human SIRT6 in complex with allosteric activator MDL-801 (3.2A)