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- ChemComp-B5Q: [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-di... -
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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: B5Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6EI5 | ||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 | [ |
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-PDB entries
Showing all 1 items
![](data/pdb/img/6ei5.jpg)
PDB-6ei5:
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation