[English] 日本語
Yorodumi- ChemComp-JRX: 2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JRX |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C21H24N4O2S / Number of atoms: 52 / Formula weight: 396.506 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: JRX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SIQ | ||||
History |
| ||||
External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
---|
-PDB entries
Showing all 1 items
PDB-5siq:
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [S](N3CCN(c2nc1ccccc1nc2CC)CC3)(c4ccc(cc4)C)(=O)=O, micromolar IC50=0.226614