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- ChemComp-XR2: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5... -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: |
-Chemical information
Composition | |||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAD / Three letter code: XR2 | ||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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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 1.7.2 | |
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-PDB entries
Showing all 5 items
![](data/pdb/img/1x95.jpg)
PDB-1x95:
Solution structure of the DNA-hexamer ATGCAT complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944)
![](data/pdb/img/2mg8.jpg)
PDB-2mg8:
Solution structure of TFF1 Estrogen Response Element complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944)
![](data/pdb/img/4bzt.jpg)
PDB-4bzt:
The Solution Structure of the MLN 944-d(ATGCAT)2 Complex
![](data/pdb/img/4bzu.jpg)
PDB-4bzu:
The Solution Structure of the MLN 944-d(TATGCATA)2 Complex
![](data/pdb/img/4bzv.jpg)
PDB-4bzv:
The Solution Structure of the MLN 944-d(TACGCGTA)2 complex