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Yorodumi- ChemComp-E3A: 1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicycl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: E3A |
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Name | Name: |
-Chemical information
Composition | Formula: C19H17FN4O4 / Number of atoms: 45 / Formula weight: 384.361 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: E3A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6BQ0 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / 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 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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 2.0.6 | [ | |
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-PDB entries
Showing all 1 items
PDB-6bq0:
Structure of human monoacylglycerol lipase bound to a covalent inhibitor