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Open data
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Basic information
Entry | ![]() |
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Name | Name: |
-BIRD information
Type | Peptide-like / Inhibitor |
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Synonyms |
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Annotation |
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External info | |
Family | ketomethylene isostere inhibitor N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide |
-Chemical information
Composition | |||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KVS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3NWX / Subcomponent: ACE, THR, ILE, NLH, GLN, ARG, NH2 | ||||||
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 5 items
![](data/pdb/img/3dcr.jpg)
PDB-3dcr:
X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor
![](data/pdb/img/3nwx.jpg)
PDB-3nwx:
X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor
![](data/pdb/img/3nxn.jpg)
PDB-3nxn:
X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor
![](data/pdb/img/6kmp.jpg)
PDB-6kmp:
100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1
![](data/pdb/img/6ptp.jpg)
PDB-6ptp:
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1