Reaction Details Report a problem with these data
Target
Mixed lineage kinase domain-like protein
Ligand
BDBM5832
Substrate
n/a
Meas. Tech.
ChEMBL_2239017 (CHEMBL5152913)
Kd
530±n/a nM
Citation
 Shi, K; Zhang, J; Zhou, E; Wang, J; Wang, Y Small-Molecule Receptor-Interacting Protein 1 (RIP1) Inhibitors as Therapeutic Agents for Multifaceted Diseases: Current Medicinal Chemistry Insights and Emerging Opportunities. J Med Chem 65:14971-14999 (2022) [PubMed] 
Target
Name:
Mixed lineage kinase domain-like protein
Synonyms:
MLKL | MLKL_HUMAN | Mixed lineage kinase domain-like protein | hMLKL
Type:
PROTEIN
Mol. Mass.:
54493.57
Organism:
Homo sapiens
Description:
ChEMBL_104428
Residue:
471
Sequence:
MENLKHIITLGQVIHKRCEEMKYCKKQCRRLGHRVLGLIKPLEMLQDQGKRSVPSEKLTTAMNRFKAALEEANGEIEKFSNRSNICRFLTASQDKILFKDVNRKLSDVWKELSLLLQVEQRMPVSPISQGASWAQEDQQDADEDRRAFQMLRRDNEKIEASLRRLEINMKEIKETLRQYLPPKCMQEIPQEQIKEIKKEQLSGSPWILLRENEVSTLYKGEYHRAPVAIKVFKKLQAGSIAIVRQTFNKEIKTMKKFESPNILRIFGICIDETVTPPQFSIVMEYCELGTLRELLDREKDLTLGKRMVLVLGAARGLYRLHHSEAPELHGKIRSSNFLVTQGYQVKLAGFELRKTQTSMSLGTTREKTDRVKSTAYLSPQELEDVFYQYDVKSEIYSFGIVLWEIATGDIPFQGCNSEKIRKLVAVKRQQEPLGEDCPSELREIIDECRAHDPSVRPSVDEILKKLSTFSK
  
Inhibitor
Name:
BDBM5832
Synonyms:
3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl})amino]phenyl}-1-[4-(trifluoromethoxy)phenyl]urea | urea deriv. 23
Type:
Small organic molecule
Emp. Form.:
C25H22F3N7O4S
Mol. Mass.:
573.547
SMILES:
CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Structure:
Search PDB for entries with ligand similarity: