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Yorodumi- ChemComp-A1N: (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: A1N |
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Name | Name: ( |
-Chemical information
Composition | Formula: C21H25N5O2 / Number of atoms: 53 / Formula weight: 379.456 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A1N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5OPB | ||||
History |
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External links | UniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / Nikkaji / PubChem / SureChEMBL / 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 5 items
PDB-5opb:
Structure of CHK1 10-pt. mutant complex with indazole LRRK2 inhibitor
PDB-8txz:
Structure of C-terminal LRRK2 bound to MLi-2
PDB-8tzc:
Structure of C-terminal LRRK2 bound to MLi-2 (G2019S mutant)
PDB-8tzg:
Structure of C-terminal LRRK2 bound to MLi-2 (I2020T mutant)
PDB-8tzh:
Structure of full-length LRRK2 bound to MLi-2 (I2020T mutant)