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Target
hek293 luciferase
Ligand
BDBM578558
Substrate
n/a
Meas. Tech.
HEK293 luciferase
EC50
8.00±n/a nM
Citation
 Bartholomeus, J; Bürli, R; Jarvis, R; Johnstone, S; Ostenfeld, T; Terstiege, I; Travagli, M; Turcotte, S Small molecule modulators of the BTB domain of Keap1 US Patent  US11479539 Publication Date 10/25/2022 
Target
Name:
Gag-Pol polyprotein [588-1147,M628L,D654N,M771V,L797W,T802Y]
Synonyms:
HIV RT (41L/67N/210W/215Y/184V) | POL_HV1H2 | gag-pol
Type:
n/a
Mol. Mass.:
64571.45
Organism:
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)
Description:
P04585[588-1147,M628L,D654N,M771V,L797W,T802Y]
Residue:
560
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTELEKEGKISKIGPENPYNTPVFAIKKKNSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYVDDLYVGSDLEIGQHRTKIEELRQHLWRWGLYTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVL
  
Inhibitor
Name:
BDBM578558
Synonyms:
3-[3-(1,3- dimethylpyrazol- 4-yl)-5-fluoro-2- pyridyl]-3- methoxy-5,5- dimethyl-6-oxo- cyclohexene-1- carbonitrile (Enantiomer A) | US11479539, Compound 172 | US11479539, Compound 78
Type:
Small organic molecule
Emp. Form.:
C20H21FN4O2
Mol. Mass.:
368.4047
SMILES:
COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cn(C)nc1C |c:9|
Structure:
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