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Yorodumi- ChemComp-S53: [7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1H-pyrrolo[2,3-c]... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S53 |
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Name | Name: [ |
-Chemical information
Composition | Formula: C32H29FN4O2 / Number of atoms: 68 / Formula weight: 520.597 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: S53 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3SFC | ||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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-3sfc:
Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin Inhibitors