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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: boronic_warhead Boronic acid warhead
ID 1276 DB Docking_panel_21
2D structure

OHD_Leishmania_218

ID 1276

CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O

Formula: C19H25BN4O4

MW: 384.25 | LogP: 0.36

TPSA: 124.44

Patterns:

Boronic acid warhead
Detail
ID 2255 DB Docking_panel_21
2D structure

GemmaOHDUnisi_3

ID 2255

COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(B(O)O)s3)ccc2OC)cc1

Formula: C19H19BN2O7S2

MW: 462.31 | LogP: 1.50

TPSA: 134.19

Patterns:

Boronic acid warhead
Detail