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Yorodumi- ChemComp-NBR: 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: NBR |
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Name | Name: |
-Chemical information
Composition | Formula: C30H36N4O2 / Number of atoms: 72 / Formula weight: 484.632 / Formal charge: 2 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: NBR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FTG | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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-5ftg:
Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a)