+Open data
-Basic information
Entry | Database: PDB chemical components / ID: ALE | ||
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Name | Name: Comment | medication, hormone*YM | |
-Chemical information
Composition | Formula: C9H13NO3 / Number of atoms: 26 / Formula weight: 183.204 / Formal charge: 0 | ||||||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: ALE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4A7U | ||||||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Metabolights / 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 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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-PDB entries
Showing all 6 items
PDB-2hkk:
Carbonic anhydrase activators: Solution and X-ray crystallography for the interaction of andrenaline with various carbonic anhydrase isoforms
PDB-4a7u:
Structure of human I113T SOD1 complexed with adrenaline in the p21 space group.
PDB-4ldo:
Structure of beta2 adrenoceptor bound to adrenaline and an engineered nanobody
PDB-7brn:
Crystal structure of Atg40 AIM fused to Atg8
PDB-7bts:
Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9
PDB-8thl:
Cryo-EM structure of epinephrine-bound alpha-1A-adrenergic receptor in complex with heterotrimeric Gq-protein