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Yorodumi- ChemComp-8DK: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,4-dimethylphenyl)-7-oxidan... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8DK |
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Name | Name: |
-Chemical information
Composition | Formula: C22H20N6O4 / Number of atoms: 52 / Formula weight: 432.432 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 8DK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7X4U | ||||
History |
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External links | UniChem / BindingDB / 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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7x4u:
Crystal structure of ERK2 with an allosteric inhibitor 2