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Yorodumi- ChemComp-PKA: N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-car... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: PKA |
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Name | Name: |
-Chemical information
Composition | Formula: C21H21ClN2O / Number of atoms: 46 / Formula weight: 352.857 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PKA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2MGY | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / SureChEMBL / ZINC / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | 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 | OpenEye OEToolkits 1.7.6 | |
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-PDB entries
Showing all 3 items
PDB-2mgy:
Solution structure of the mitochondrial translocator protein (TSPO) in complex with its high-affinity ligand PK11195
PDB-2n02:
Solution structure of the A147T variant of the mitochondrial translocator protein (tspo) in complex with pk11195
PDB-4ryi:
Crystal structure of BcTSPO/PK11195 complex