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Yorodumi- ChemComp-8X2: 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8X2 |
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Name | Name: |
-Chemical information
Composition | Formula: C22H25N7O / Number of atoms: 55 / Formula weight: 403.48 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8X2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5NGU | ||||
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 1 items
PDB-5ngu:
Human Erk2 with an Erk1/2 inhibitor