Reaction Details Report a problem with these data
Target
Nuclear factor erythroid 2-related factor 2
Ligand
BDBM50456755
Substrate
n/a
Meas. Tech.
ChEMBL_1758067 (CHEMBL4193075)
EC50
>25000±n/a nM
Citation
 Del Prete, D; Taglialatela-Scafati, O; Minassi, A; Sirignano, C; Cruz, C; Bellido, ML; Muñoz, E; Appendino, G Electrophilic Triterpenoid Enones: A Comparative Thiol-Trapping and Bioactivity Study. J Nat Prod 80:2276-2283 (2017) [PubMed]  Article 
Target
Name:
Nuclear factor erythroid 2-related factor 2
Synonyms:
HEBP1 | NF-E2-related factor 2 | NFE2-related factor 2 | Nuclear factor, erythroid derived 2, like 2 | Kelch-like ECH-associated protein 1 | Nuclear factor erythroid 2-related factor 2 | NF2L2_HUMAN | NFE2L2 | NRF2
Type:
PROTEIN
Mol. Mass.:
67786.89
Organism:
Human
Description:
ChEMBL_107924
Residue:
605
Sequence:
MMDLELPPPGLPSQQDMDLIDILWRQDIDLGVSREVFDFSQRRKEYELEKQKKLEKERQEQLQKEQEKAFFAQLQLDEETGEFLPIQPAQHIQSETSGSANYSQVAHIPKSDALYFDDCMQLLAQTFPFVDDNEVSSATFQSLVPDIPGHIESPVFIATNQAQSPETSVAQVAPVDLDGMQQDIEQVWEELLSIPELQCLNIENDKLVETTMVPSPEAKLTEVDNYHFYSSIPSMEKEVGNCSPHFLNAFEDSFSSILSTEDPNQLTVNSLNSDATVNTDFGDEFYSAFIAEPSISNSMPSPATLSHSLSELLNGPIDVSDLSLCKAFNQNHPESTAEFNDSDSGISLNTSPSVASPEHSVESSSYGDTLLGLSDSEVEELDSAPGSVKQNGPKTPVHSSGDMVQPLSPSQGQSTHVHDAQCENTPEKELPVSPGHRKTPFTKDKHSSRLEAHLTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLENIVELEQDLDHLKDEKEKLLKEKGENDKSLHLLKKQLSTLYLEVFSMLRDEDGKPYSPSEYSLQQTRDGNVFLVPKSKKPDVKKN
  
Inhibitor
Name:
BDBM50456755
Synonyms:
CHEMBL4212101
Type:
Small organic molecule
Emp. Form.:
C31H45IO3
Mol. Mass.:
592.6
SMILES:
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(I)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Structure:
Search PDB for entries with ligand similarity: