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Yorodumi- ChemComp-A1K: [4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: A1K |
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Name | Name: [ |
-Chemical information
Composition | Formula: C19H21ClN6O3 / Number of atoms: 50 / Formula weight: 416.861 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A1K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5OP7 | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / ChemicalBook / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 | [ |
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-PDB entries
Showing all 1 items
PDB-5op7:
Structure of CHK1 10-pt. mutant complex with pyrrolopyrimidine LRRK2 inhibitor