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Yorodumi- ChemComp-61L: 4-methyl-2-{[2-methyl-6-(methylsulfanyl)phenyl]amino}benzoic acid -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 61L |
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Name | Name: |
-Chemical information
Composition | Formula: C16H17NO2S / Number of atoms: 37 / Formula weight: 287.377 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 61L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ZOJ | ||||
History |
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External links | UniChem / ChemSpider / PubChem / ZINC / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-4zoj:
Methylsulfanyl-containing inhibitor bound in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)