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Yorodumi- ChemComp-K30: (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: K30 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C25H28F3N3O2 / Number of atoms: 61 / Formula weight: 459.504 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K30 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3CJO | ||||||
History |
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External links | BindingDB / UniChem / ChEMBL / ChemicalBook / DrugBank / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.5.0 | ( | |
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-PDB entries
Showing all 1 items
PDB-3cjo:
Crystal structure of KSP in complex with inhibitor 30