Reaction Details Report a problem with these data
Target
Nuclear factor erythroid 2-related factor 2
Ligand
BDBM50076479
Substrate
n/a
Meas. Tech.
ChEMBL_1335748 (CHEMBL3239747)
Kd
2900±n/a nM
Citation
 Zhuang, C; Narayanapillai, S; Zhang, W; Sham, YY; Xing, C Rapid identification of Keap1-Nrf2 small-molecule inhibitors through structure-based virtual screening and hit-based substructure search. J Med Chem 57:1121-6 (2014) [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:
BDBM50076479
Synonyms:
CHEMBL3235901
Type:
Small organic molecule
Emp. Form.:
C21H20N4O3S2
Mol. Mass.:
440.538
SMILES:
CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: