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Target
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2
Ligand
BDBM486623
Substrate
n/a
Meas. Tech.
ThermoFluor (Tf) assay
Kd
1.20±n/a nM
Citation
 Barbay, JK; Chai, W; Hirst, GC; Kreutter, KD; Kummer, DA; McClure, KJ; Nishimura, RT; Shih, AY; Venable, JD; Venkatesan, H; Wei, J Inhibitors of KEAP1-Nrf2 protein-protein interaction US Patent  US10947252 Publication Date 3/16/2021 
Target
Name:
Kelch-like ECH-associated protein 1 [321-624]/Nuclear factor erythroid 2-related factor 2
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Kelch-like ECH-associated protein 1 [321-624]
Synonyms:
n/a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
33399.63
Organism:
Homo sapiens (Human)
Description:
aa 321-624
Residue:
304
Sequence:
APKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC
  
Component 2
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:
BDBM486623
Synonyms:
US10947252, Example 59 | US11427601, Example 59
Type:
Small organic molecule
Emp. Form.:
C32H38N6O6S
Mol. Mass.:
634.746
SMILES:
CCn1nnc2c(C)c(ccc12)[C@@H](c1cnc(C)c(CN2CC3(CCOCC3)Oc3ncccc3S2(=O)=O)c1)C(C)(C)C(O)=O |r|
Structure:
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