+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S59 |
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Name | Name: Synonyms: ~{N}6-[(1~{S})-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-~{N}2-pyrazin-2-yl-pyridine-2,6-diamine |
-Chemical information
Composition | Formula: C21H20FN7 / Number of atoms: 49 / Formula weight: 389.429 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S59 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8BX9 | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / ChemicalBook / DrugBank / GtoPharmacology / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-8bx9:
Crystal structure of JAK2 JH1 in complex with ilginatinib