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Yorodumi- ChemComp-C08: difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: C08 |
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Name | Name: Synonyms: 4,4-difluoro-5-octyl-4-bora-3a,4a-diaza-s-indacene-3-pentanoic acid |
-Chemical information
Composition | Formula: C22H31BF2N2O2 / Number of atoms: 60 / Formula weight: 404.302 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C08 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2ZK6 | ||||||||
History |
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External links | UniChem / Brenda / 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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-PDB entries
Showing all 1 items
PDB-2zk6:
Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with C8-BODIPY