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TitleCrystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 5, Page 1119-1123, Year 2014
Publish dateMay 13, 2014 (structure data deposition date)
AuthorsTojo, S. / Kohno, T. / Tanaka, T. / Kamioka, S. / Ota, Y. / Ishii, T. / Kamimoto, K. / Asano, S. / Isobe, Y.
External linksAcs Med. Chem. Lett. / PubMed:25313323
MethodsX-ray diffraction
Resolution2.79 - 3.45 Å
Structure data

PDB-4pk5:
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1
Method: X-RAY DIFFRACTION / Resolution: 2.79 Å

PDB-4pk6:
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole derivative
Method: X-RAY DIFFRACTION / Resolution: 3.45 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-PKJ:
N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

ChemComp-HOH:
WATER

ChemComp-PKL:
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / indoleamine 2 / 3-dioxygenagse 1 / induced fit / structure based drug discovery / imidazothiazole / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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