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PDBsum entry 2ghl

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Transferase PDB id
2ghl
Jmol
Contents
Protein chain
334 a.a.
Ligands
LIB
Waters ×310

References listed in PDB file
Key reference
Title Development of n-2,4-Pyrimidine-N-Phenyl-N'-Phenyl ureas as inhibitors of tumor necrosis factor alpha (tnf-Alpha) synthesis. Part 1.
Authors T.A.Brugel, J.A.Maier, M.P.Clark, M.Sabat, A.Golebiowshi, R.G.Bookland, M.J.Laufersweiler, S.K.Laughlin, J.C.Vanrens, B.De, L.C.Hsieh, M.J.Mekel, M.J.Janusz.
Ref. Bioorg.Med.Chem.Lett., 2006, 16, 3510-3513. [DOI no: 10.1016/j.bmcl.2006.03.095]
PubMed id 16632356
Abstract
A new class of tumor necrosis factor alpha (TNF-alpha) synthesis inhibitors based on an N-2,4-pyrimidine-N-phenyl-N'-phenyl urea scaffold is described. Many of these compounds showed low-nanomolar activity against lipopolysaccharide stimulated TNF-alpha production. X-ray co-crystallization studies with mutated p38alpha showed that these trisubstituted ureas interact with the ATP-binding pocket in a pseudo-bicyclic conformation brought about by the presence of an intramolecular hydrogen bonding interaction.
PROCHECK
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 Headers