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Yorodumi- ChemComp-D36: N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: D36 |
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Name | Name: |
-Chemical information
Composition | Formula: C20H28N8O2S / Number of atoms: 59 / Formula weight: 444.554 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: D36 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3R21 | ||||||
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
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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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 1.7.0 | |
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-PDB entries
Showing all 1 items
PDB-3r21:
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)