| Reaction Details |
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 | Report a problem with these data |
| Target | Nuclear factor erythroid 2-related factor 2 |
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| Ligand | BDBM50584803 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2160765 (CHEMBL5045515) |
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| Kd | 16000±n/a nM |
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| Citation |  Begnini, F; Geschwindner, S; Johansson, P; Wissler, L; Lewis, RJ; Danelius, E; Luttens, A; Matricon, P; Carlsson, J; Lenders, S; König, B; Friedel, A; Sjö, P; Schiesser, S; Kihlberg, J Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J Med Chem65:3473-3517 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Nuclear factor erythroid 2-related factor 2 |
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| 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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| BDBM50584803 |
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| n/a |
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| Name | BDBM50584803 |
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| Synonyms: | CHEMBL5080701 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H32N4O7S |
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| Mol. Mass. | 520.598 |
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| SMILES | COc1cccc2c1CSC[C@@H](NC(=O)[C@@H](COC2=O)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N(C)C |r| |
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| Structure | 
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