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Yorodumi- ChemComp-J3A: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J3A |
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Name | Name: |
-Chemical information
Composition | Formula: C21H25N7 / Number of atoms: 53 / Formula weight: 375.47 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J3A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6EAS | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 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
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | |
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-PDB entries
Showing all 1 items
PDB-6eas:
Co-crystal of pseudokinase DRIK1 (drought responsive inactive kinase 1) bound to ENMD-2076