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2d chemical structures  (Accelrys)

 
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    Accelrys 2d chemical structures
    2d Chemical Structures, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    Average 86 stars, based on 1 article reviews
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    2D representations of the reference compound 2HDA ( a ), FDA-approved compounds: Venetoclax ( b ), Ergotamine ( c ), Lonafarnib ( d ), Preclinical and clinical compounds S55746 ( e ), Adavavinit ( f ), Lifirafenib ( g ), and Natural Product Compounds NPC143329 ( h ), NPC478048 ( i ), NPC77101 ( j ).

    Journal: Scientific Reports

    Article Title: Identification of potent TMPRSS4 inhibitors through structural modeling and molecular dynamics simulations

    doi: 10.1038/s41598-025-86961-5

    Figure Lengend Snippet: 2D representations of the reference compound 2HDA ( a ), FDA-approved compounds: Venetoclax ( b ), Ergotamine ( c ), Lonafarnib ( d ), Preclinical and clinical compounds S55746 ( e ), Adavavinit ( f ), Lifirafenib ( g ), and Natural Product Compounds NPC143329 ( h ), NPC478048 ( i ), NPC77101 ( j ).

    Article Snippet: The SDF files of 2D chemical structures of FDA-approved (L1300, 3113 compounds) and preclinical and clinical drugs (L3900, 3408 compounds) were downloaded from the Selleckchem database, and those of natural products (~ 95k compounds) were downloaded from the Natural Product Activity and Species Source (NPASS version 2.0) database .

    Techniques: