| Reaction Details |
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 | Report a problem with these data |
| Target | Kelch-like ECH-associated protein 1 |
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| Ligand | BDBM304768 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1884970 (CHEMBL4386552) |
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| Kd | 35±n/a nM |
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| Citation |  Heightman, TD; Callahan, JF; Chiarparin, E; Coyle, JE; Griffiths-Jones, C; Lakdawala, AS; McMenamin, R; Mortenson, PN; Norton, D; Peakman, TM; Rich, SJ; Richardson, C; Rumsey, WL; Sanchez, Y; Saxty, G; Willems, HMG; Wolfe, L; Woolford, AJ; Wu, Z; Yan, H; Kerns, JK; Davies, TG Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction. J Med Chem62:4683-4702 (2019) [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 |
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| Synonyms: | Cytosolic inhibitor of Nrf2 | INRF2 | KEAP1 | KEAP1/Cullin-3/Microtubule-associated protein tau | KEAP1_HUMAN | KIAA0132 | KLHL19 | Kelch-like protein 19 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 69664.53 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_107924 |
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| Residue: | 624 |
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| Sequence: | MQPDPRPSGAGACCRFLPLQSQCPEGAGDAVMYASTECKAEVTPSQHGNRTFSYTLEDHT
KQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGM
EVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLD
PSNAIGIANFAEQIGCVELHQRAREYIYMHFGEVAKQEEFFNLSHCQLVTLISRDDLNVR
CESEVFHACINWVKYDCEQRRFYVQALLRAVRCHSLTPNFLQMQLQKCEILQSDSRCKDY
LVKIFEELTLHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQV
PRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGV
IDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDG
TNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVE
TETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSG
RSGVGVAVTMEPCRKQIDQQNCTC
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| BDBM304768 |
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| n/a |
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| Name | BDBM304768 |
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| Synonyms: | 3-(3-((1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)-4-methylphenyl)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic acid | US10144731, Example 57 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H28N4O6S |
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| Mol. Mass. | 536.599 |
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| SMILES | COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CCOc3ccccc3S2(=O)=O)c1 |
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| Structure | 
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