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Yorodumi- ChemComp-RLK: 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]p... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: RLK |
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Name | Name: |
-Chemical information
Composition | Formula: C19H27BrN6O4S / Number of atoms: 58 / Formula weight: 515.424 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: RLK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ALE | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / PubChem / SureChEMBL / 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-7ale:
Crystal structure of human PAICS in complex with inhibitor 69