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Yorodumi- ChemComp-73B: 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-te... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 73B |
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Name | Name: |
-Chemical information
Composition | Formula: C25H23ClN2O3 / Number of atoms: 54 / Formula weight: 434.915 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 73B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4bjx | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / ChemicalBook / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
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-PDB entries
Showing all 4 items
PDB-4bjx:
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK1324726A (I-BET726)
PDB-4uyf:
N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A)
PDB-4uyg:
C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A)
PDB-7amc:
SmBRD3(2), Bromodomain 2 of the Bromodomain 3 protein from Schistosoma mansoni in complex with iBET726