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Yorodumi- ChemComp-IES: propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamin... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IES |
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Name | Name: |
-Chemical information
Composition | Formula: C30H40N4O6 / Number of atoms: 80 / Formula weight: 552.662 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: IES / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4CL9 | ||||||
History |
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External links | UniChem / ChEMBL / Nikkaji / PubChem / 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 1 items
PDB-4cl9:
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET295