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Yorodumi- ChemComp-EUI: [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: EUI | ||
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Name | Name: [Comment | medication, anticancer, inhibitor*YM | |
-Chemical information
Composition | Formula: C21H21F3IN3O2 / Number of atoms: 51 / Formula weight: 531.31 / Formal charge: 0 | ||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: EUI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4AN2 | ||||||||
History |
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External links | BindingDB / Brenda / UniChem / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | {OpenEye OEToolkits 1.9.2 | [ | |
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-PDB entries
Showing all 4 items
PDB-4an2:
Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs.
PDB-4lmn:
Crystal Structure of MEK1 kinase bound to GDC0973
PDB-7juy:
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib
PDB-7m0v:
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Cobimetinib