[English] 日本語
Yorodumi- ChemComp-5CE: (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5CE |
---|---|
Name | Name: ( |
-Chemical information
Composition | Formula: C17H21F3O2 / Number of atoms: 43 / Formula weight: 314.343 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5CE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5DIG | ||||
History |
| ||||
External links | UniChem / ChemSpider / ChEMBL / PubChem / PubChem_TPharma / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.9.2 | ( | |
---|
-PDB entries
Showing all 1 items
PDB-5dig:
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoromethyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol