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Yorodumi- ChemComp-K45: 4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzen... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: K45 |
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Name | Name: |
-Chemical information
Composition | Formula: C19H23N3O3S / Number of atoms: 49 / Formula weight: 373.469 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K45 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RG4 | ||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / PubChem / ChemSpider / 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-6rg4:
Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzyl-4-methylpiperazin-1-yl)benzenesulfonamide