3ccb

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Crystal Structure of Human DPP4 in complex with a benzimidazole derivativeCrystal Structure of Human DPP4 in complex with a benzimidazole derivative

Structural highlights

3ccb is a 4 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:,
Related:3ccc
Gene:DPP4, ADCP2, CD26 (Homo sapiens)
Activity:Dipeptidyl-peptidase IV, with EC number 3.4.14.5
Resources:FirstGlance, OCA, RCSB, PDBsum

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

A novel series of non-covalent, benzimidazole-based inhibitors of DPP-4 has been developed from a small fragment hit using structure-based drug design. A highly versatile synthetic route was created for the development of SAR, which led to the discovery of potent and selective inhibitors with excellent pharmaceutical properties.

Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.,Wallace MB, Feng J, Zhang Z, Skene RJ, Shi L, Caster CL, Kassel DB, Xu R, Gwaltney SL 2nd Bioorg Med Chem Lett. 2008 Apr 1;18(7):2362-7. Epub 2008 Mar 4. PMID:18346892[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. Wallace MB, Feng J, Zhang Z, Skene RJ, Shi L, Caster CL, Kassel DB, Xu R, Gwaltney SL 2nd. Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett. 2008 Apr 1;18(7):2362-7. Epub 2008 Mar 4. PMID:18346892 doi:10.1016/j.bmcl.2008.02.071

3ccb, resolution 2.49Å

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