+Open data
-Basic information
Entry | Database: PDB chemical components / ID: Q55 |
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Name | Name: Synonyms: (3~{S})-3-(hydroxymethyl)-5-[2-[(2-methoxypyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile |
-Chemical information
Composition | Formula: C21H20N6O2 / Number of atoms: 49 / Formula weight: 388.423 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: Q55 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Z1T | ||||||
History |
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External links | UniChem / PubChem / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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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-PDB entries
Showing all 1 items
PDB-6z1t:
MAP3K14 (NIK) in complex with 4S/3694