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Yorodumi- ChemComp-99O: 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 99O |
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Name | Name: |
-Chemical information
Composition | Formula: C18H20N2O4S / Number of atoms: 45 / Formula weight: 360.427 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 99O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5Z8R | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / 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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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 1 items
PDB-5z8r:
BRD4 Bromodomain 1 with an inhibitor