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Yorodumi- ChemComp-P1E: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluorom... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: P1E |
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Name | Name: |
-Chemical information
Composition | Formula: C19H25F3N6O2S / Number of atoms: 56 / Formula weight: 458.501 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: P1E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3H3C | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / DrugBank / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 2 items
PDB-3h3c:
Crystal structure of PYK2 in complex with Sulfoximine-substituted trifluoromethylpyrimidine analog
PDB-6yvy:
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide