[English] 日本語
Yorodumi- ChemComp-3KG: 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridaz... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3KG |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C20H13F3N4O / Number of atoms: 41 / Formula weight: 382.339 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3KG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3WYK | ||||
History |
| ||||
External links | UniChem / ChemSpider / PubChem / PubChem_TPharma / 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-3wyk:
Crystal structure of the catalytic domain of PDE10A complexed with 3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one