Allosteric Modulator Fragment Library
| Cat. No. : CS-L942 |
|---|
| （1802） |
| Library Contents: |
| Unlike highly conserved orthosteric sites, allosteric sites exhibit low conservation, high hydrophobicity, weak polarity, confined geometry, and dynamic cryptic properties. Rather than rigid keyhole-like cavities, they typically appear as flexible grooves, subunit interface clefts, or shallow depressions formed by protein conformational changes. Based on the dynamic, hydrophobic, and elongated nature of allosteric pockets, ChemScene has carried out targeted fragment modification and screening under strict physicochemical criteria: MW 120–280 Da, HBD ≤ 2, HBA ≤ 3, PSA 30–80 Ų, rotatable bonds ≤ 2, cLogP 1–3.5. High 3D diversity was further ensured by PMI analysis, yielding fragments with excellent shape complementarity to allosteric pockets. This library contains 1,800 structurally diverse, drug-like fragments, this library supports allosteric drug development and pocket optimization. It significantly improves screening hit rates and enables efficient, precise early-stage R&D of allosteric drugs. |
| Size (Pre-dissolved DMSO or Solid) | Stock | Price |
|---|---|---|
| In-stock | Get quote |
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Data Sheet
Description & Advantages
Composition
| Formulation: | A 3D diverse fragment library designed to target allosteric pockets and support early allosteric drug discovery. |
|---|---|
| Container: | 96- or 384-well Plate with Peelable Foil Seal; 96-well Format Sample Storage Tube With Screw Cap and Optional 2D Barcode. |
| Storage: | -80°C |
| Shipping: | Blue ice or dry ice |
• A unique collection of 1800 3D diverse fragments with potent allosteric binding activity, designed for the research and development of allosteric modulators.
• Identified via AI-driven 2D/3D similarity screening, it is applied to the optimization and derivation of novel allosteric modulator.
• All compounds are available off the shelf.
• All compounds are validated by LC-MS or NMR to ensure high purity and quality.
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