Reaction Details Report a problem with these data
Target
Kelch-like ECH-associated protein 1 [321-624]
Ligand
BDBM486676
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
2680±n/a nM
Citation
 Barbay, JK; Chai, W; Hirst, GC; Kreutter, KD; Kummer, DA; McClure, KJ; Nishimura, RT; Shih, AY; Venable, JD; Venkatesan, H; Wei, J Inhibitors of KEAP1-Nrf2 protein-protein interaction US Patent  US11427601 Publication Date 8/30/2022
Target
Name:
Kelch-like ECH-associated protein 1 [321-624]
Synonyms:
KEAP1 | KEAP1_PONAB | Kelch-like ECH-associated protein 1 (KEAP1)(321-624)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
33399.63
Organism:
Homo sapiens (Human)
Description:
aa 321-624
Residue:
304
Sequence:
APKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC
  
Inhibitor
Name:
BDBM486676
Synonyms:
US10947252, Example 116 | US11427601, Example 116
Type:
Small organic molecule
Emp. Form.:
C35H41F3N6O7S
Mol. Mass.:
746.796
SMILES:
Cc1ccc(cc1CN1CC2(CCOCC2)Oc2nc(NCCCO)ccc2S1(=O)=O)[C@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: