+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BA1 | ||
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Name | Name: Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C28H26N2O10 / Number of atoms: 66 / Formula weight: 550.513 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BA1 / Model coordinates PDB-ID: 1BX6 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / GtoPharmacology / 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 3 items
PDB-1bx6:
CRYSTAL STRUCTURE OF THE POTENT NATURAL PRODUCT INHIBITOR BALANOL IN COMPLEX WITH THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE
PDB-3krw:
Human GRK2 in complex with Gbetgamma subunits and balanol (soak)
PDB-3krx:
Human GRK2 in complex with Gbetgamma subunits and balanol (co-crystal)