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TitleDiscovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 30, Page 127060-127060, Year 2020
Publish dateOct 24, 2019 (structure data deposition date)
AuthorsKalliokoski, T. / Rummakko, P. / Rantanen, M. / Blaesse, M. / Augustin, M. / Ummenthala, G.R. / Choudhary, S. / Venalainen, J.
External linksBioorg. Med. Chem. Lett. / PubMed:32113843
MethodsX-ray diffraction
Resolution2.02 - 2.51 Å
Structure data

PDB-6t8p:
HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-6t8q:
HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.51 Å

Chemicals

ChemComp-MVT:
3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide

ChemComp-IOD:
IODIDE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-MVQ:
(2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide

ChemComp-CD:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-ACT:
ACETATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ALPHA & BETA PROTEIN / PLP-DEPENDENT TRANSFERASE / KAT II / KYNURENINE AM / PROTEROS BIOSTRUCTURES GMBH

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