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Yorodumi- ChemComp-B29: [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOS... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: B29 |
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Name | Name: [ Synonyms: [2-(3-DIBENZO[B,D]FURAN-4-YLPHENYL)-1-HYDROXYETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) |
-Chemical information
Composition | Formula: C20H18O8P2 / Number of atoms: 48 / Formula weight: 448.3 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B29 / Ideal coordinates details: OpenEye/OEToolkits V1.4.2 | ||||||||
History |
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External links | BindingDB / UniChem / Brenda / ChEMBL / DrugBank / GtoPharmacology / PubChem / PubChem_TPharma / 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 5 items
PDB-2e93:
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-629
PDB-2e98:
E. coli undecaprenyl pyrophosphate synthase in complex with BPH-629
PDB-3wqm:
Crystal structure of Rv3378c with inhibitor BPH-629
PDB-4w4s:
Crystal structure of ent-kaurene synthase BJKS from bradyrhizobium japonicum in complex with BPH-629
PDB-5zlf:
CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ligand BPH-629