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Yorodumi- ChemComp-TU1: 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TU1 |
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Name | Name: |
-Chemical information
Composition | Formula: C29H21F3N4O2 / Number of atoms: 59 / Formula weight: 514.498 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: TU1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BMM | ||||||
History |
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External links | UniChem / ChEMBL / PubChem / SureChEMBL / ZINC / ChemSpider / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-4bmm:
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide