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Target
Nuclear factor erythroid 2-related factor 2
Ligand
BDBM50584787
Substrate
n/a
Meas. Tech.
ChEMBL_2160765 (CHEMBL5045515)
Kd
9300±n/a nM
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 Chem 65:3473-3517 (2022) [PubMed]  Article 
Target
Name:
Nuclear factor erythroid 2-related factor 2
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
Type:
PROTEIN
Mol. Mass.:
67786.89
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107924
Residue:
605
Sequence:
MMDLELPPPGLPSQQDMDLIDILWRQDIDLGVSREVFDFSQRRKEYELEKQKKLEKERQEQLQKEQEKAFFAQLQLDEETGEFLPIQPAQHIQSETSGSANYSQVAHIPKSDALYFDDCMQLLAQTFPFVDDNEVSSATFQSLVPDIPGHIESPVFIATNQAQSPETSVAQVAPVDLDGMQQDIEQVWEELLSIPELQCLNIENDKLVETTMVPSPEAKLTEVDNYHFYSSIPSMEKEVGNCSPHFLNAFEDSFSSILSTEDPNQLTVNSLNSDATVNTDFGDEFYSAFIAEPSISNSMPSPATLSHSLSELLNGPIDVSDLSLCKAFNQNHPESTAEFNDSDSGISLNTSPSVASPEHSVESSSYGDTLLGLSDSEVEELDSAPGSVKQNGPKTPVHSSGDMVQPLSPSQGQSTHVHDAQCENTPEKELPVSPGHRKTPFTKDKHSSRLEAHLTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLENIVELEQDLDHLKDEKEKLLKEKGENDKSLHLLKKQLSTLYLEVFSMLRDEDGKPYSPSEYSLQQTRDGNVFLVPKSKKPDVKKN
  
Inhibitor
Name:
BDBM50584787
Synonyms:
CHEMBL5087800
Type:
Small organic molecule
Emp. Form.:
C24H32N4O6
Mol. Mass.:
472.5341
SMILES:
CN(C)C(=O)[C@H]1CCCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)C(=O)N1 |r|
Structure:
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