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SH2 Library

12,000 Compounds

ChemDiv’s SH2 Library contains 12,000 compounds.

Src homology 2 (SH2) domains are 100 amino acid modular units, which recognize and bind to tyrosyl-phosphorylated peptide sequences on their target proteins, and thereby mediate intracellular protein-protein interactions.

Currently, more than 50 crystallographic complexes obtained for various small-molecule SH2 domain inhibitors are available within PDB databank. The 4-centered pharmacophore model was constructed based on the selected X-Ray data (2WKM, 3GQL and 4AOI). The reference compounds were then docked into the constructed model starting form 2D structures without any stereo assignment. The obtained results are well correlated with the RSA data used (av. RMSD=0.2).
All the compounds from SH2 domains library were evaluated using the developed pharmacophore model. High-score molecules were included in the library (more than 50% of the total amount).

Medicinal and Computational Chemistry Dept., ChemDiv, Inc.
12760 High Bluff Dr, San Diego, CA, 92130
Phone: + 1 916 234 0888
Fax: +1 858 794 4931
Email: ChemDiv@chemdiv.com

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You can buy this library or customize your own library from our discovery collection of 1 600 000 compounds and 60 000 building blocks.

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