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Yorodumi- ChemComp-7FR: (9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 7FR |
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Name | Name: ( |
-Chemical information
Composition | Formula: C27H33NO / Number of atoms: 62 / Formula weight: 387.557 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7FR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5TN1 | ||||
History |
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External links | UniChem / ChemSpider / 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 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-5tn1:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,E)-17-((4-isopropylphenyl)imino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol