Literature summary for 1.14.14.14 extracted from

Prior, A.M.; Yu, X.; Park, E.J.; Kondratyuk, T.P.; Lin, Y.; Pezzuto, J.M.; Sun, D.
Structure-activity relationships and docking studies of synthetic 2-arylindole derivatives determined with aromatase and quinone reductase 1 (2017), Bioorg. Med. Chem. Lett., 27, 5393-5399 .

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Crystallization (Commentary)

Crystallization (Comment)	Organism
molecular docking studies with inhibitors based on PDB entry 3EQM. The 2-arylindoles prefer binding with the 2-aryl group toward a small hydrophobic pocket within the active site. The C-5 electron withdrawing group on indole may have an important role and form a hydrogen bond with Ser478 (OH). Meta-pyridyl analogs may orient with the pyridyl 3'-nitrogen coordinating with the heme group	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
2-(pyridin-3-yl)-1H-indole	-	Homo sapiens
2-phenyl-1H-indole-3-carbonitrile	-	Homo sapiens
5-nitro-2-phenyl-1H-indole	compound is inhibitory toward aromatase and induces quinone reductase 1	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P11511	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
placenta	-	Homo sapiens	-

Synonyms

Synonyms	Comment	Organism
CYP19A1	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00161	-	pH not specified in the publication, temperature not specified in the publication	Homo sapiens	2-phenyl-1H-indole-3-carbonitrile
0.00305	-	pH not specified in the publication, temperature not specified in the publication	Homo sapiens	2-(pyridin-3-yl)-1H-indole
0.009	-	pH not specified in the publication, temperature not specified in the publication	Homo sapiens	5-nitro-2-phenyl-1H-indole

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Release 2023.1 (January 2023)