| ReCore example 1: HIV Reverse Transcriptase |
Are results similar to known inhibitors?
| Here is CSD MSC194 with the two green bonds defining the query "exit vectors": |
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| Here are results (yellow), overlaid with the query: |
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Rank: |
4 |
1 |
125 |
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CSD: |
MOZJUG |
CABVAD |
XUCPUG |
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PDB analog: |
1eet |
1s9e |
1ddt |
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| Here are closely related inhibitors (in orange) superimposed with the ReCore solutions: |
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PDB: |
1eet |
1s9e |
1ddt |
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Note: |
amide flip suggestion |
meta substituted aromatics |
a close match to a Trovirdine derivative |
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