[English] 日本語
Yorodumi- ChemComp-3U9: 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1H-1,2,3-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3U9 |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C17H18FN5O2 / Number of atoms: 43 / Formula weight: 343.356 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 3U9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4CNH | ||||
History |
| ||||
External links | UniChem / BindingDB / ChEMBL / PubChem / SureChEMBL / ZINC / ChemSpider / 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-4cnh:
Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 3-((1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy)-5-(1-methyl-1H- 1,2,3-triazol-5-yl)pyridin-2-amine