Reaction Details Report a problem with these data
Target
Kelch-like ECH-associated protein 1
Ligand
BDBM50526864
Substrate
n/a
Meas. Tech.
ChEMBL_1901488 (CHEMBL4403710)
IC50
31±n/a nM
Citation
 Li, Q; Xing, S; Chen, Y; Liao, Q; Li, Q; Liu, Y; He, S; Feng, F; Chen, Y; Zhang, J; Liu, W; Guo, Q; Sun, Y; Sun, H Reasonably activating Nrf2: A long-term, effective and controllable strategy for neurodegenerative diseases. Eur J Med Chem 185:0 (2020) [PubMed]  Article 
Target
Name:
Kelch-like ECH-associated protein 1
Synonyms:
Cytosolic inhibitor of Nrf2 | INRF2 | KEAP1 | KEAP1/Cullin-3/Microtubule-associated protein tau | KEAP1_HUMAN | KIAA0132 | KLHL19 | Kelch-like protein 19
Type:
PROTEIN
Mol. Mass.:
69664.53
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107924
Residue:
624
Sequence:
MQPDPRPSGAGACCRFLPLQSQCPEGAGDAVMYASTECKAEVTPSQHGNRTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLDPSNAIGIANFAEQIGCVELHQRAREYIYMHFGEVAKQEEFFNLSHCQLVTLISRDDLNVRCESEVFHACINWVKYDCEQRRFYVQALLRAVRCHSLTPNFLQMQLQKCEILQSDSRCKDYLVKIFEELTLHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC
  
Inhibitor
Name:
BDBM50526864
Synonyms:
CHEMBL4516372
Type:
Small organic molecule
Emp. Form.:
C33H51N7O15S
Mol. Mass.:
817.861
SMILES:
C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C1CSCN1C(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)NC(CC1CCCCC1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: