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Yorodumi- ChemComp-XNH: (3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-y... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XNH |
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Name | Name: ( |
-Chemical information
Composition | Formula: C25H33N7O3 / Number of atoms: 68 / Formula weight: 479.575 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: XNH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5KHM | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / DrugBank / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.5 | ( |
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-PDB entries
Showing all 1 items
PDB-5khm:
The first BET bromodomain of BRD4 bound to compound 13 in a bivalent manner