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Literature summary for 1.1.1.62 extracted from

  • Spadaro, A.; Negri, M.; Marchais-Oberwinkler, S.; Bey, E.; Frotscher, M.
    Hydroxybenzothiazoles as new nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) (2012), PLoS ONE, 7, e29252.
    View publication on PubMedView publication on EuropePMC

Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with ligands estradiol, equiline, 5-alpha-dihydrotestosterone, O5'-[9-(3,17beta-dihydroxy-1,3,5(10)-estratrien-16beta-yl)nonanoyl]adenosine and 3-[[(16beta,17beta)-3,17-dihydroxyestra-1,3,5(10)trien-16-yl]methyl]benzamide. Construction of pharmacophore model Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(6-hydroxy-1,3-benzothiazol-2-yl)(3-hydroxyphenyl)methanone modeling of binding to crystal structure shows five hydrogen bond interactions and a cation-pi-interaction Homo sapiens
3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide modeling of binding to crystal structure shows five hydrogen bond interactions and a cation-pi-interaction Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
cytosol
-
Homo sapiens 5829
-

Organism

Organism UniProt Comment Textmining
Homo sapiens P14061
-
-

Source Tissue

Source Tissue Comment Organism Textmining
placenta
-
Homo sapiens
-

Synonyms

Synonyms Comment Organism
17beta-HSD1
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000044
-
pH not specified in the publication, temperature not specified in the publication Homo sapiens (6-hydroxy-1,3-benzothiazol-2-yl)(3-hydroxyphenyl)methanone
0.000243
-
pH not specified in the publication, temperature not specified in the publication Homo sapiens 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide