5lyd

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Crystal structure of 1 in complex with tafCPBCrystal structure of 1 in complex with tafCPB

Structural highlights

5lyd is a 1 chain structure with sequence from Sus scrofa. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.02Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

CBPB1_PIG

Publication Abstract from PubMed

Previously disclosed TAFIa inhibitors having a urea zinc-binding motif were used as the starting point for the development of a novel class of highly potent inhibitors having a sulfamide zinc-binding motif. High-resolution X-ray cocrystal structures were used to optimize the structures and reveal a highly unusual sulfamide configuration. A selected sulfamide was profiled in vitro and in vivo and displayed a promising ADMET profile.

Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).,Halland N, Czech J, Czechtizky W, Evers A, Follmann M, Kohlmann M, Schreuder HA, Kallus C J Med Chem. 2016 Oct 17. PMID:27749053[1]

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

See Also

References

  1. Halland N, Czech J, Czechtizky W, Evers A, Follmann M, Kohlmann M, Schreuder HA, Kallus C. Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). J Med Chem. 2016 Oct 17. PMID:27749053 doi:http://dx.doi.org/10.1021/acs.jmedchem.6b01276

5lyd, resolution 2.02Å

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