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CIX001

Sigma-Aldrich

ComInnex IAP Ligand Library

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About This Item

Code UNSPSC :
41116105
Nomenclature NACRES :
NA.22

Forme

solid (powder or film on well wall)

Niveau de qualité

Pertinence de la réaction

reagent type: ligand

Concentration

125 μg/well

Adéquation

suitable for H-NMR
suitable for LC-MS

Température de stockage

2-8°C

Application

The ComInnex IAP Ligand Library is an 80-member collection of in-silico-derived ligands targeting cellular inhibitor of apoptosis protein 1 (cIAP1). cIAP1 is an E3 ligase of interest for the development of protein degraders, specifically called specific and non-genetic IAP-dependent protein erasers (SNIPERs).

Based on the SAR rules outlined in IAP antagonist research, the binding tetrapeptide anchor of the natural SMAC inhibitor protein of IAPs (AVPI and AVPF) was used in identification of novel derivatives designed by 3D similarity.

The initial library was filtered via in silico IFD methods by docking to the BIR3 domain of the IAP crystal structures. The highest binding derivatives were selected and collected in a screening library, including the natural binding tetrapeptides and known MV1 reference compounds. IAP in silico leads are an optimal collection to begin IAP lead discovery at the bench for eventual development into bifunctional protein degraders. With the proper assay setup to measure protein degradation or protein-protein interactions (PPIs), the ComInnex IAP Ligand Library can also be a platform for molecular glue discovery.

Learn more about this library: Accelerating IAP Lead Discovery for Targeted Protein Degradation

To view a complete list of compounds in the library, including sdf, visit the CIX001 Plate Map.

To streamline the assessment of these in silico leads for target-specific bifunctional degraders, three IAP ligands with the highest docking scores were also prepared as degrader building blocks for simple attachment of a target warhead.

Actions biochimiques/physiologiques

80 compounds are arranged in 96-microtube format with two open rows for screening controls if using liquid handling setups. One compound per tube (125 μg in solid form). Compound concentration in assays will vary depending on assay type, but common screening library stock solutions are 2 mM or 10 mM in DMSO.

Produit(s) apparenté(s)

Réf. du produit
Description
Tarif

Code de la classe de stockage

11 - Combustible Solids

Classe de danger pour l'eau (WGK)

WGK 3


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Norihito Shibata et al.
Cancer science, 108(8), 1657-1666 (2017-05-31)
Chromosomal translocation occurs in some cancer cells, which results in the expression of aberrant oncogenic fusion proteins that include BCR-ABL in chronic myelogenous leukemia (CML). Inhibitors of ABL tyrosine kinase, such as imatinib and dasatinib, exhibit remarkable therapeutic effects, although

Articles

This product is a plate of 80 ligands against the E3 ligase IAP The ligands were designed by ComInnex using a computational approach. Linkers can be added to these ligands allowing attachment to target ligands to create bifunctional targeted protein degraders. The ligands can also be used to discover molecular glues that bring together the IAP E3 ligase and a target.

Notre équipe de scientifiques dispose d'une expérience dans tous les secteurs de la recherche, notamment en sciences de la vie, science des matériaux, synthèse chimique, chromatographie, analyse et dans de nombreux autres domaines..

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