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Target
Kelch-like ECH-associated protein 1
Ligand
BDBM50006932
Substrate
n/a
Meas. Tech.
ChEMBL_1337093 (CHEMBL3242827)
Kd
3.6±n/a nM
Citation
 Jiang, ZY; Lu, MC; Xu, LL; Yang, TT; Xi, MY; Xu, XL; Guo, XK; Zhang, XJ; You, QD; Sun, HP Discovery of potent Keap1-Nrf2 protein-protein interaction inhibitor based on molecular binding determinants analysis. J Med Chem 57:2736-45 (2014) [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:
BDBM50006932
Synonyms:
CHEMBL3237245
Type:
Small organic molecule
Emp. Form.:
C28H26N2O10S2
Mol. Mass.:
614.643
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Structure:
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