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Literature summary for 5.2.1.8 extracted from

  • Babine, R.E.; Bleckman, T.M.; Littlefield, E.S.; Parge, H.E.; Pelletier, L.A.K.; Lewis, C.T.; French, J.V.; Imbacuan, M.; Katoh, S.; Tatlock, J.H.; Showalter, R.E.; Villafranca, J.E.
    Design, synthesis and X-ray crystallographic studies of [7.3.1] and [8.3.1] macrocyclic FKBP-12 ligands (1996), Bioorg. Med. Chem. Lett., 6, 385-390.
No PubMed abstract available

Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with inhibitor 1-[(1R,10S)-3,8-dioxa-14-azabicyclo[8.3.1]tetradec-14-yl]-3,3-dimethyl-1-oxopentan-2-one Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
1-[(1R,10S)-3,8-dioxa-14-azabicyclo[8.3.1]tetradec-14-yl]-3,3-dimethyl-1-oxopentan-2-one
-
Homo sapiens
2-oxo-2-[(1R,10S)-5-phenoxy-3,8-dioxa-14-azabicyclo[8.3.1]tetradec-14-yl]-1-(3,4,5-trimethoxyphenyl)ethanone
-
Homo sapiens
2-[(1R,10S)-3,8-dioxa-14-azabicyclo[8.3.1]tetradec-14-yl]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethanone
-
Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P62942 isoform FKBP12
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
cis-succinyl-Ala-Leu-Pro-Phe-p-nitroanilide
-
Homo sapiens trans-succinyl-Ala-Leu-Pro-Phe-p-nitroanilide
-
?

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0012
-
2-oxo-2-[(1R,10S)-5-phenoxy-3,8-dioxa-14-azabicyclo[8.3.1]tetradec-14-yl]-1-(3,4,5-trimethoxyphenyl)ethanone pH 8.0 Homo sapiens
0.0081
-
2-[(1R,10S)-3,8-dioxa-14-azabicyclo[8.3.1]tetradec-14-yl]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethanone pH 8.0 Homo sapiens
0.0083
-
1-[(1R,10S)-3,8-dioxa-14-azabicyclo[8.3.1]tetradec-14-yl]-3,3-dimethyl-1-oxopentan-2-one pH 8.0 Homo sapiens