| Reaction Details |
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 | Report a problem with these data |
| Target | Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 |
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| Ligand | BDBM576166 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Nrf2-Keapl Biochemical Assay Protocol |
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| IC50 | 0.90±n/a nM |
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| Citation |  Claude, B; George, K; John, J; Kristen, T TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES WIPOWO2022056448 Publication Date 3/17/2022 |
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| More Info.: | Get all data from this article, Assay Method |
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| Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 |
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| Name: | Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 |
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| Synonyms: | Nrf2-Keap1 protein |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Nuclear factor erythroid 2-related factor 2 |
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| Synonyms: | HEBP1 | Kelch-like ECH-associated protein 1 | NF-E2-related factor 2 | NF2L2_HUMAN | NFE2-related factor 2 | NFE2L2 | NRF2 | Nuclear factor erythroid 2-related factor 2 | Nuclear factor, erythroid derived 2, like 2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 67786.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_107924 |
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| Residue: | 605 |
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| Sequence: | MMDLELPPPGLPSQQDMDLIDILWRQDIDLGVSREVFDFSQRRKEYELEKQKKLEKERQE
QLQKEQEKAFFAQLQLDEETGEFLPIQPAQHIQSETSGSANYSQVAHIPKSDALYFDDCM
QLLAQTFPFVDDNEVSSATFQSLVPDIPGHIESPVFIATNQAQSPETSVAQVAPVDLDGM
QQDIEQVWEELLSIPELQCLNIENDKLVETTMVPSPEAKLTEVDNYHFYSSIPSMEKEVG
NCSPHFLNAFEDSFSSILSTEDPNQLTVNSLNSDATVNTDFGDEFYSAFIAEPSISNSMP
SPATLSHSLSELLNGPIDVSDLSLCKAFNQNHPESTAEFNDSDSGISLNTSPSVASPEHS
VESSSYGDTLLGLSDSEVEELDSAPGSVKQNGPKTPVHSSGDMVQPLSPSQGQSTHVHDA
QCENTPEKELPVSPGHRKTPFTKDKHSSRLEAHLTRDELRAKALHIPFPVEKIINLPVVD
FNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLENIVELEQDLDHLKDEKEKLL
KEKGENDKSLHLLKKQLSTLYLEVFSMLRDEDGKPYSPSEYSLQQTRDGNVFLVPKSKKP
DVKKN
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| Component 2 |
| 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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| BDBM576166 |
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| n/a |
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| Name | BDBM576166 |
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| Synonyms: | WO2022056448, Compound 37 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H36F2N4O3 |
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| Mol. Mass. | 586.6714 |
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| SMILES | Cc1c2ccc3n(CCCCCCc4ccc(cc4CC(F)F)C(=O)N4CCc5ccc(cc5C4)[C@@H]2CC(O)=O)nnc13 |r| |
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| Structure | 
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