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Yorodumi- ChemComp-YJA: 2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]a... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: YJA |
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Name | Name: |
-Chemical information
Composition | Formula: C26H30FN7O3 / Number of atoms: 67 / Formula weight: 507.56 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: YJA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4C2V | ||||||
History |
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External links | BindingDB / UniChem / ChEBI / ChEMBL / ChemicalBook / CompTox / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-4c2v:
Aurora B kinase in complex with the specific inhibitor Barasertib