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Structure paper

TitlePyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis
Journal, issue, pagesTo be Published
Publish dateApr 29, 2014 (structure data deposition date)
AuthorsLange, S.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.64 - 2.75 Å
Structure data

PDB-4d0r:
Mtb InhA complex with Pyradizinone compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-4d0s:
Mtb InhA complex with Pyradizinone compound 14
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

Chemicals

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-41I:
4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide

ChemComp-HOH:
WATER

ChemComp-9G4:
1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide

ChemComp-MG:
Unknown entry

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE / ACP ENOYL REDUCTASE / METHYL-THIAZOLE / INHA

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