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Yorodumi- ChemComp-W94: [(2S,4S)-4-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piper... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: W94 |
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Name | Name: [( |
-Chemical information
Composition | Formula: C23H28F3N5OS / Number of atoms: 61 / Formula weight: 479.562 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: W94 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3VJL | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / PubChem_TPharma / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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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 1.7.2 | [( | |
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-PDB entries
Showing all 1 items
PDB-3vjl:
Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2