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Yorodumi- ChemComp-448: (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZ... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 448 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C17H17F6N5O / Number of atoms: 46 / Formula weight: 421.34 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 448 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2QOE | ||||
History |
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External links | BindingDB / UniChem / Brenda / ChEMBL / DrugBank / PubChem / PubChem_TPharma / ZINC / ChemSpider / 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-2qoe:
Human Dipeptidyl Peptidase IV in complex with a Triazolopiperazine-based beta amino acid Inhibitor