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Yorodumi- ChemComp-UMB: 6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-d... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: UMB |
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Name | Name: Synonyms: ~{N}2-methyl-~{N}4-(3-oxidanylcyclobutyl)-6-(phenylmethyl)pyridine-2,4-dicarboxamide |
-Chemical information
Composition | Formula: C19H21N3O3 / Number of atoms: 46 / Formula weight: 339.388 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: UMB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7NQ9 | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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-7nq9:
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide