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Yorodumi- ChemComp-RT3: S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: RT3 |
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Name | Name: Synonyms: S-(2-{[4-(aminosulfonyl)-2-chlorophenyl]amino}-2-oxoethyl) 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate |
-Chemical information
Composition | Formula: C19H20ClN3O4S2 / Number of atoms: 49 / Formula weight: 453.963 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RT3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3I0R | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / DrugBank / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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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-3i0r:
crystal structure of HIV reverse transcriptase in complex with inhibitor 3