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Yorodumi- ChemComp-ECL: 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-i... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: ECL |
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Name | Name: Synonyms: R-Econazole |
-Chemical information
Composition | Formula: C18H15Cl3N2O / Number of atoms: 39 / Formula weight: 381.684 / Formal charge: 0 | ||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ECL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3JUS | ||||||||||
History |
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External links | BindingDB / UniChem / ChEBI / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 4 items
PDB-3jus:
Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with econazole
PDB-3r9c:
Crystal structure of Mycobacterium smegmatis CYP164A2 with Econazole bound
PDB-6b5v:
Structure of TRPV5 in complex with econazole
PDB-7s8c:
Cryo-EM structure of human TRPV6 in complex with inhibitor econazole