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Yorodumi- ChemComp-6G1: cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 6G1 |
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Name | Name: |
-Chemical information
Composition | Formula: C20H25N3O3S / Number of atoms: 52 / Formula weight: 387.496 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6G1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5J5R | ||||
History |
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External links | UniChem / Brenda / ChEMBL / PubChem / 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 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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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 2.0.4 | |
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-PDB entries
Showing all 1 items
PDB-5j5r:
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor VCC234718