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Yorodumi- ChemComp-S61: (S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-ami... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S61 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C20H18FN3O4 / Number of atoms: 46 / Formula weight: 383.373 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S61 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4AZ0 | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / GtoPharmacology / 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-4az0:
crystal structure of cathepsin a, complexed with 8a.