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Yorodumi- ChemComp-S4E: N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S4E |
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Name | Name: Synonyms: ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine |
-Chemical information
Composition | Formula: C24H30N6O3 / Number of atoms: 63 / Formula weight: 450.533 / Formal charge: 0 | ||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S4E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7AVY | ||||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7avy:
MerTK kinase domain in complex with quinazoline-based inhbitor