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- ChemComp-7RO: tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-m... -
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Open data
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Basic information
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Name | Name: |
-Chemical information
Composition | |||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 7RO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4C4G | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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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 3 items
![](data/pdb/img/4c4g.jpg)
PDB-4c4g:
Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1
![](data/pdb/img/4c4h.jpg)
PDB-4c4h:
Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1
![](data/pdb/img/5ap5.jpg)
PDB-5ap5:
Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.