+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2OH | ||
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Name | Name: Wikipedia | Wikipedia - Bisphenol A: | Bisphenol A is a chemical compound primarily used in the manufacturing of various plastics. It is a colourless solid which is soluble in most common organic solvents, but has very poor solubility in water... |
-Chemical information
Composition | Formula: C15H16O2 / Number of atoms: 33 / Formula weight: 228.286 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2OH | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / 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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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 6 items
PDB-2e2r:
Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol A
PDB-2p7g:
X-ray Structure of Estrogen Related Receptor g in complex with Bisphenol A.
PDB-3uu7:
Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A
PDB-5it1:
Streptomyces peucetius CYP105P2 complex with biphenyl compound
PDB-6i63:
Crystal structure of human ERRg LBD in complex with bisphenol-A
PDB-6lit:
Estrogen-related receptor beta(ERR2) in complex with BPA