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Yorodumi- ChemComp-06J: (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-do... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 06J |
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Name | Name: ( |
-Chemical information
Composition | Formula: C26H34N4O2 / Number of atoms: 66 / Formula weight: 434.574 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 06J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3R92 | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / PubChem_TPharma / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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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-PDB entries
Showing all 1 items
PDB-3r92:
Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.