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Target
Kelch-like ECH-associated protein 1
Ligand
BDBM50620488
Substrate
n/a
Meas. Tech.
ChEMBL_2324716
Kd
11870±n/a nM
Citation
 Qi, M; Zhong, H; Cheng, Z; Chen, S; Xiao, H; Shang, J; Chen, L; Sun, J Discovery of NAFLD-Improving Agents by Promoting the Degradation of Keap1. J Med Chem 66:9184-9200 (2023) [PubMed] 
Target
Name:
Kelch-like ECH-associated protein 1
Synonyms:
Cytosolic inhibitor of Nrf2 | Kelch-like protein 19 | KEAP1/Cullin-3/Microtubule-associated protein tau | KEAP1_HUMAN | KEAP1 | INRF2 | KIAA0132 | KLHL19
Type:
PROTEIN
Mol. Mass.:
69664.53
Organism:
Human
Description:
ChEMBL_107924
Residue:
624
Sequence:
MQPDPRPSGAGACCRFLPLQSQCPEGAGDAVMYASTECKAEVTPSQHGNRTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLDPSNAIGIANFAEQIGCVELHQRAREYIYMHFGEVAKQEEFFNLSHCQLVTLISRDDLNVRCESEVFHACINWVKYDCEQRRFYVQALLRAVRCHSLTPNFLQMQLQKCEILQSDSRCKDYLVKIFEELTLHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC
  
Inhibitor
Name:
BDBM50620488
Synonyms:
CHEMBL5414697
Type:
Small organic molecule
Emp. Form.:
C49H61N5O7
Mol. Mass.:
832.06
SMILES:
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)[C@]2([H])C(=O)C=C2[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#N)C(=O)NCCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,c:19,33|
Structure:
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