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Yorodumi- ChemComp-9ST: 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9ST |
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Name | Name: |
-Chemical information
Composition | Formula: C17H21BrN4O / Number of atoms: 44 / Formula weight: 377.279 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9ST / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MLJ | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / Nikkaji / 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 3 items
PDB-5mlj:
Bromodomain of Human GCN5 with 4-bromo-2-methyl-5-(((3R,5R)-1-methyl-5-phenylpiperidin-3-yl)amino)pyridazin-3(2H)-one
PDB-7blb:
BAZ2A bromodomain in complex with GSK4027 chemical probe
PDB-7k6r:
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to GSK4027