Reaction Details |
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Target | Kelch-like ECH-associated protein 1 |
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Ligand | BDBM50601808 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2238230 (CHEMBL5152126) |
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IC50 | 230±n/a nM |
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Citation | Norton, D; Bonnette, WG; Callahan, JF; Carr, MG; Griffiths-Jones, CM; Heightman, TD; Kerns, JK; Nie, H; Rich, SJ; Richardson, C; Rumsey, W; Sanchez, Y; Verdonk, ML; Willems, HMG; Wixted, WE; Wolfe, L; Woolford, AJ; Wu, Z; Davies, TG Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction. J Med Chem64:15949-15972 (2021) [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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BDBM50601808 |
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n/a |
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Name | BDBM50601808 |
Synonyms: | CHEMBL5207900 |
Type | Small organic molecule |
Emp. Form. | C28H37N3O3 |
Mol. Mass. | 463.6117 |
SMILES | CCCC1CCCCN1C(=O)C1CCCC(C1)c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 |
Structure |
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