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Yorodumi- ChemComp-UZT: (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: UZT |
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Name | Name: ( Synonyms: (2~{S})-1-(4-azanylpiperidin-1-yl)carbonyl-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide |
-Chemical information
Composition | Formula: C22H31N5O3 / Number of atoms: 61 / Formula weight: 413.513 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: UZT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7O2A | ||||
History |
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External links | UniChem / ChemSpider / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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-7o2a:
X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15