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Yorodumi- ChemComp-M9J: N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: M9J |
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Name | Name: |
-Chemical information
Composition | Formula: C34H45N5S / Number of atoms: 85 / Formula weight: 555.82 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: M9J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6OEZ | ||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | 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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | ~{ | |
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-PDB entries
Showing all 1 items
PDB-6oez:
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-N-(Cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrro-lidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine