Reaction Details |
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Target | Kelch-like ECH-associated protein 1 |
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Ligand | BDBM50200466 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1622123 (CHEMBL3864475) |
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IC50 | 9.5±n/a nM |
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Citation | Jiang, ZY; Lu, MC; You, QD Discovery and Development of Kelch-like ECH-Associated Protein 1. Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction Inhibitors: Achievements, Challenges, and Future Directions. J Med Chem59:10837-10858 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Kelch-like ECH-associated protein 1 |
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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: | MQPDPRPSGAGACCRFLPLQSQCPEGAGDAVMYASTECKAEVTPSQHGNRTFSYTLEDHT
KQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGM
EVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLD
PSNAIGIANFAEQIGCVELHQRAREYIYMHFGEVAKQEEFFNLSHCQLVTLISRDDLNVR
CESEVFHACINWVKYDCEQRRFYVQALLRAVRCHSLTPNFLQMQLQKCEILQSDSRCKDY
LVKIFEELTLHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQV
PRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGV
IDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDG
TNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVE
TETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSG
RSGVGVAVTMEPCRKQIDQQNCTC
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BDBM50200466 |
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n/a |
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Name | BDBM50200466 |
Synonyms: | CHEMBL3913014 |
Type | Small organic molecule |
Emp. Form. | C54H79N11O21S2 |
Mol. Mass. | 1282.396 |
SMILES | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSSC[C@H](NC1=O)C(O)=O)NC(C)=O)[C@@H](C)O |r| |
Structure |
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