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Target
Nuclear factor erythroid 2-related factor 2
Ligand
BDBM50601821
Substrate
n/a
Meas. Tech.
ChEMBL_2238232 (CHEMBL5152128)
EC50
43±n/a nM
Citation
 Norton, D; Bonnette, WG; Callahan, JF; Carr, MG; Griffiths-Jones, CM; Heightman, TD; Kerns, JK; Nie, H; Rich, SJ; Richardson, C; Rumsey, W; Sanchez, Y; Verdonk, ML; Willems, HMG; Wixted, WE; Wolfe, L; Woolford, AJ; Wu, Z; Davies, TG Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction. J Med Chem 64:15949-15972 (2021) [PubMed] 
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:
BDBM50601821
Synonyms:
CHEMBL5206387
Type:
Small organic molecule
Emp. Form.:
C31H34N6O3
Mol. Mass.:
538.6401
SMILES:
CCC[C@@H]1CCCCN1C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1[C@H]1C[C@@H]1c1cn(C)nn1 |r|
Structure:
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