Reaction Details Report a problem with these data
Target
Kelch-like ECH-associated protein 1 [321-609]
Ligand
BDBM304866
Substrate
n/a
Meas. Tech.
Nrf2-Keap1 FP Assay #1
IC50
550±n/a nM
Citation
 Davies, TG; Woolford, AJ; Willems, HM; Norton, D; Heightman, TD; Kerns, JK Nrf2 regulators US Patent  US10144731 Publication Date 12/4/2018 
Target
Name:
Kelch-like ECH-associated protein 1 [321-609]
Synonyms:
INRF2 | KEAP1 | KEAP1_HUMAN | KIAA0132 | KLHL19 | Keap1 (aa 321-609)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
31620.58
Organism:
Homo sapiens (Human)
Description:
Q14145[321-609]
Residue:
289
Sequence:
APKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT
  
Inhibitor
Name:
BDBM304866
Synonyms:
6-Methyl-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)heptanoic acid | US10144731, Example 174
Type:
Small organic molecule
Emp. Form.:
C25H33NO5S
Mol. Mass.:
459.598
SMILES:
CC(C)CCC(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: