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Yorodumi- ChemComp-676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 676 |
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Name | Name: |
-Chemical information
Composition | Formula: C22H22FN5O2 / Number of atoms: 52 / Formula weight: 407.441 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 676 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BZO | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / ZINC / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4bzo:
Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor