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Yorodumi- ChemComp-IUI: 5-amino-3,4-dimethyl-N-{[4-(trifluoromethanesulfonyl)phenyl]methy... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IUI |
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Name | Name: |
-Chemical information
Composition | Formula: C17H15F3N4O3S2 / Number of atoms: 44 / Formula weight: 444.451 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: IUI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7TRQ | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / Nikkaji / PubChem / SureChEMBL / 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 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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
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-PDB entries
Showing all 1 items
PDB-7trq:
Human M4 muscarinic acetylcholine receptor complex with Gi1 and the agonist iperoxo and positive allosteric modulator VU0467154