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Yorodumi- ChemComp-0F5: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]m... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0F5 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C20H21N5O2S / Number of atoms: 49 / Formula weight: 395.478 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 0F5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3VBQ | ||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / 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-3vbq:
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design