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TitleRational Development of 4-Aminopyridyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 as Anti-Chagas Agents.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 7651-, Year 2013
Publish dateApr 18, 2013 (structure data deposition date)
AuthorsChoi, J.Y. / Calvet, C.M. / Gunatilleke, S.S. / Ruiz, C. / Cameron, M.D. / Mckerrow, J.H. / Podust, L.M. / Roush, W.R.
External linksJ. Med. Chem. / PubMed:24079662
MethodsX-ray diffraction
Resolution2.67 Å
Structure data

PDB-4bjk:
CYP51 of Trypanosoma brucei bound to (S)-N-(3-(1H-indol-3-yl)-1-oxo-1- (pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4- carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.67 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-18I:
3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide

ChemComp-HOH:
WATER

Source
  • trypanosoma brucei (eukaryote)
KeywordsOXIDOREDUCTASE / ERGOSTEROL BIOSYNTHESIS

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