+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 08Y | ||||
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Name | Name: Wikipedia | Wikipedia - Bromocriptine: Bromocriptine, originally marketed as Parlodel and subsequently under many brand names, is an ergoline derivative and dopamine agonist that is used in the treatment of pituitary tumors, Parkinson's disease, hyperprolactinaemia, neuroleptic malignant syndrome, and, as an adjunct, type 2 diabetes.
| It was patented in 1968 and approved for medical use in 1975. ...Comment | agonist*YM | |
-Chemical information
Composition | Formula: C32H40BrN5O5 / Number of atoms: 83 / Formula weight: 654.594 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 08Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3UA1 | ||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 4 items
PDB-3ua1:
Crystal structure of the cytochrome P4503A4-bromoergocryptine complex
PDB-5vcg:
Crystal structure of the cysteine depleted CYP3A4 bound to bromoergocryptine
PDB-6vms:
Structure of a D2 dopamine receptor-G-protein complex in a lipid membrane
PDB-7jvr:
Cryo-EM structure of Bromocriptine-bound dopamine receptor 2 in complex with Gi protein