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TitleVirtual screening to identify potent sepiapterin reductase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 30, Page 126793-126793, Year 2020
Publish dateOct 28, 2019 (structure data deposition date)
AuthorsGao, H. / Schneider, S. / Andrews, P. / Wang, K. / Huang, X. / Sparling, B.A.
External linksBioorg. Med. Chem. Lett. / PubMed:31740247
MethodsX-ray diffraction
Resolution2.773 Å
Structure data

PDB-6usn:
Co-crystal structure of SPR with compound 5
Method: X-RAY DIFFRACTION / Resolution: 2.773 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-QGV:
(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / inhibitor / pain / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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