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Yorodumi- ChemComp-J9K: tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}su... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J9K |
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Name | Name: |
-Chemical information
Composition | Formula: C23H31N3O3S / Number of atoms: 61 / Formula weight: 429.576 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J9K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4d78 | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4d78:
Cytochrome P450 3A4 bound to an inhibitor