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6LLC

Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B, C, D, E...NAD(P)H dehydrogenase [quinone] 1polymer27330776.412UniProt (P15559)
Pfam (PF02525)
In PDB
Homo sapiens (Human)Azoreductase,DT-diaphorase,DTD,Menadione reductase,NAD(P)H:quinone oxidoreductase 1,Phylloquinone reductase,Quinone reductase 1,QR1
2H, I, J, K, L...FLAVIN-ADENINE DINUCLEOTIDEnon-polymer785.512Chemie (FAD)
3H, I, J, L, A...5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamidenon-polymer330.38Chemie (EHL)
4J, A, D, FSULFATE IONnon-polymer96.14Chemie (SO4)
5waterwater18.0249Chemie (HOH)
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains12
Total formula weight369316.9
Non-Polymers*Number of molecules24
Total formula weight12453.4
All*Total formula weight381770.3
*Water molecules are not included.

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PDB entries from 2024-06-12

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