+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BHF |
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Name | Name: |
-Chemical information
Composition | Formula: C19H12O2 / Number of atoms: 33 / Formula weight: 272.297 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BHF | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 5 items
PDB-2hi4:
Crystal Structure of Human Microsomal P450 1A2 in complex with alpha-naphthoflavone
PDB-3pm0:
Structural Characterization of the Complex between Alpha-Naphthoflavone and Human Cytochrome P450 1B1 (CYP1B1)
PDB-4i8v:
Human Cytochrome P450 1A1 in complex with alpha-naphthoflavone
PDB-6oyu:
Structure of an ancestral-reconstructed cytochrome P450 1B1 with alpha-naphthoflavone
PDB-7vnh:
drosophlia AHR PAS-B domain bound by the antagonist alpha-naphthoflavone