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- ChemComp-2KW: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl... -
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Open data
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Basic information
Entry | ![]() | ||
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Name | Name: Synonyms: Doravirine Comment | medication, inhibitor*YM | |
-Chemical information
Composition | |||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2KW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4NCG | ||||||
History |
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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 3 items
![](data/pdb/img/4ncg.jpg)
PDB-4ncg:
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
![](data/pdb/img/7z2g.jpg)
PDB-7z2g:
Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine
![](data/pdb/img/7z2h.jpg)
PDB-7z2h:
Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine