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Yorodumi- ChemComp-CM9: CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CM9 |
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Name | Name: |
-Chemical information
Composition | Formula: C18H27N3O2S / Number of atoms: 51 / Formula weight: 349.491 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / Three letter code: CM9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2W09 | ||||||
History |
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External links | UniChem / ChemSpider / DrugBank / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-2w09:
CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE