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Yorodumi- ChemComp-K2L: 1-(2-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]et... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: K2L |
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Name | Name: |
-Chemical information
Composition | Formula: C17H21N7O / Number of atoms: 46 / Formula weight: 339.395 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: K2L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SJG | ||||
History |
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External links | UniChem / BindingDB / PubChem / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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 2.0.7 | |
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-PDB entries
Showing all 1 items
PDB-5sjg:
Crystal Structure of human phosphodiesterase 10 in complex with 1-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]pyrrolidin-2-one