+Open data
-Basic information
Entry | Database: PDB chemical components / ID: ERM | ||||
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Name | Name: Wikipedia | Wikipedia - Ergotamine: Ergotamine, sold under the brand names Cafergot (with caffeine) and Ergomar among others, is an ergopeptine and part of the ergot family of alkaloids; it is structurally and biochemically closely related to ergoline. It is structurally similar to several neurotransmitters, and it acts as a vasoconstrictor.
| It is used for acute migraines, sometimes with caffeine... Comment | neurotransmitter, alkaloid*YM | |
-Chemical information
Composition | Formula: C33H35N5O5 / Number of atoms: 78 / Formula weight: 581.661 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ERM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4IAR | ||||
History |
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External links | UniChem / BindingDB / ChEBI / ChEMBL / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | ( |
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-PDB entries
Showing all 6 items
PDB-4iar:
Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target)
PDB-4ib4:
Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine
PDB-4nc3:
Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase.
PDB-5tud:
Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody
PDB-6bqg:
Crystal structure of 5-HT2C in complex with ergotamine
PDB-7c61:
Crystal structure of 5-HT1B-BRIL and SRP2070_Fab complex