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Target
Kelch-like ECH-associated protein 1
Ligand
BDBM50262960
Substrate
n/a
Meas. Tech.
ChEBML_1697237
IC50
170±n/a nM
Citation
 Yasuda, D; Yuasa, A; Obata, R; Nakajima, M; Takahashi, K; Ohe, T; Ichimura, Y; Komatsu, M; Yamamoto, M; Imamura, R; Kojima, H; Okabe, T; Nagano, T; Mashino, T Discovery of benzo[g]indoles as a novel class of non-covalent Keap1-Nrf2 protein-protein interaction inhibitor. Bioorg Med Chem Lett 27:5006-5009 (2017) [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:
BDBM50262960
Synonyms:
CHEMBL4099355
Type:
Small organic molecule
Emp. Form.:
C35H32N4O8S2
Mol. Mass.:
700.781
SMILES:
COc1ccc(NNC(=O)c2c(C)n(c3c2cc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc32)S(=O)(=O)c2ccc(OC)cc2)cc1
Structure:
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