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Yorodumi- ChemComp-UKA: 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: UKA | ||||
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Name | Name: Wikipedia | Wikipedia - UK-432,097: UK-432,097 is a drug developed by Pfizer for the treatment of chronic obstructive pulmonary disease, which acts as a potent and selective agonist of the adenosine A2A receptor. It was discontinued from clinical trials following poor efficacy results, but its high selectivity has made it useful for detailed mapping of the internal structure of the A2A receptor.... | Comment | agonist*YM | |
-Chemical information
Composition | Formula: C40H47N11O6 / Number of atoms: 104 / Formula weight: 777.871 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: UKA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QAK | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / CompTox / DrugBank / GtoPharmacology / 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 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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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 | OpenEye OEToolkits 1.7.0 | |
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-PDB entries
Showing all 4 items
PDB-3qak:
Agonist bound structure of the human adenosine A2a receptor
PDB-5wf5:
Agonist bound human A2a adenosine receptor with D52N mutation at 2.60 A resolution
PDB-5wf6:
Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution
PDB-7ezc:
Adenosine A2a receptor mutant-I92N