FAIRMol

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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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2 results for Pattern / motif query
Pattern / motif 2 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: aldehyde_warhead Aldehyde warhead
ID 2077 ★ Native ligand DB Docking_panel_21
2D structure

6FXW

ID 2077

[O]P([O])(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O

Formula: C6H11O9P

MW: 258.12 | LogP: -2.39

TPSA: 164.09

Patterns:

Aldehyde warhead
Detail
ID 2345 ★ Native ligand DB Docking_panel_21
2D structure

6FXS

ID 2345

[O]P([O])(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O

Formula: C6H11O9P

MW: 258.12 | LogP: -2.39

TPSA: 164.09

Patterns:

Aldehyde warhead
Detail