Reaction Details Report a problem with these data
Target
Nuclear factor erythroid 2-related factor 2
Ligand
BDBM50456759
Substrate
n/a
Meas. Tech.
ChEMBL_1758067 (CHEMBL4193075)
EC50
11480±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:
BDBM50456759
Synonyms:
CHEMBL4215902
Type:
Small organic molecule
Emp. Form.:
C31H45BrO3
Mol. Mass.:
545.6
SMILES:
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(Br)=C[C@]21C)C(=O)OC |r,c:33,t:15|
Structure:
Search PDB for entries with ligand similarity: