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Yorodumi- ChemComp-L1E: N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-y... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: L1E |
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Name | Name: Synonyms: N5-(3-(9H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine |
-Chemical information
Composition | Formula: C26H19ClN8 / Number of atoms: 54 / Formula weight: 478.936 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L1E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3IDP | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 11.02 | CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | 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 11.02 | OpenEye OEToolkits 1.6.1 | |
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-PDB entries
Showing all 1 items
PDB-3idp:
B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor