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- ChemComp-VL4: (2S)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino... -
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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: VL4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4CER | ||||||
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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 1 items
![](data/pdb/img/4cer.jpg)
PDB-4cer:
Interrogating HIV integrase for compounds that bind- a SAMPL challenge