[English] 日本語
Yorodumi- ChemComp-VRA: N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VRA |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C19H20F3IN2O5S / Number of atoms: 51 / Formula weight: 572.337 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: VRA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3E8N | ||||
History |
| ||||
External links | Brenda / UniChem / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / Nikkaji / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
---|
-PDB entries
Showing all 1 items
PDB-3e8n:
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) complexed with a potent inhibitor RDEA119 and MgATP