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Yorodumi- ChemComp-JST: BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-Y... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JST |
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Name | Name: Synonyms: N-ALLYL-5-(4-CHLORO-PHENYL)-6H-1,3,4-THIADIAZIN-2-AMINE |
-Chemical information
Composition | Formula: C13H14ClN3S / Number of atoms: 32 / Formula weight: 279.788 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JST / Model coordinates PDB-ID: 1JH1 | ||||||
History |
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External links | UniChem / ChemSpider / DrugBank / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-1jh1:
Crystal Structure of MMP-8 complexed with a 6H-1,3,4-thiadiazine derived inhibitor