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- ChemComp-2GE: N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine -
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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: HETAIN / Three letter code: 2GE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4N1U | ||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 5 items
![](data/pdb/img/4n1u.jpg)
PDB-4n1u:
Structure of human MTH1 in complex with TH588
![](data/pdb/img/5hzx.jpg)
PDB-5hzx:
Crystal structure of zebrafish MTH1 in complex with TH588
![](data/pdb/img/5mzg.jpg)
PDB-5mzg:
Crystal structure of mouse MTH1 in complex with TH588
![](data/pdb/img/6ehh.jpg)
PDB-6ehh:
Crystal structure of mouse MTH1 mutant L116M with inhibitor TH588
![](data/pdb/img/6qqn.jpg)
PDB-6qqn:
Tubulin-TH588 complex