[English] 日本語
Yorodumi- ChemComp-2Q4: N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidi... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2Q4 |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C23H35ClN2O4 / Number of atoms: 65 / Formula weight: 438.988 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2Q4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4NY9 | ||||
History |
| ||||
External links | UniChem / ChemSpider / BindingDB / ChEMBL / GtoPharmacology / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
---|
-PDB entries
Showing all 1 items
PDB-4ny9:
Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide