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Yorodumi- ChemComp-96N: 4-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-py... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 96N |
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Name | Name: Synonyms: XDM4 |
-Chemical information
Composition | Formula: C21H22N2O2 / Number of atoms: 47 / Formula weight: 334.412 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 96N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5NRW | ||||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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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-PDB entries
Showing all 1 items
PDB-5nrw:
Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM4