Reaction Details Report a problem with these data
Target
ATP-dependent RNA helicase DDX3X
Ligand
BDBM50606872
Substrate
n/a
Meas. Tech.
ChEMBL_2261439 (CHEMBL5216450)
Ki
2200±n/a nM
Citation
 Brai, A; Trivisani, CI; Poggialini, F; Pasqualini, C; Vagaggini, C; Dreassi, E DEAD-Box Helicase DDX3X as a Host Target against Emerging Viruses: New Insights for Medicinal Chemical Approaches. J Med Chem 65:10195-10216 (2022) [PubMed] 
Target
Name:
ATP-dependent RNA helicase DDX3X
Synonyms:
DBX | DDX3 | DDX3X | DDX3X_HUMAN
Type:
PROTEIN
Mol. Mass.:
73247.61
Organism:
Homo sapiens (Human)
Description:
ChEMBL_811954
Residue:
662
Sequence:
MSHVAVENALGLDQQFAGLDLNSSDNQSGGSTASKGRYIPPHLRNREATKGFYDKDSSGWSSSKDKDAYSSFGSRSDSRGKSSFFSDRGSGSRGRFDDRGRSDYDGIGSRGDRSGFGKFERGGNSRWCDKSDEDDWSKPLPPSERLEQELFSGGNTGINFEKYDDIPVEATGNNCPPHIESFSDVEMGEIIMGNIELTRYTRPTPVQKHAIPIIKEKRDLMACAQTGSGKTAAFLLPILSQIYSDGPGEALRAMKENGRYGRRKQYPISLVLAPTRELAVQIYEEARKFSYRSRVRPCVVYGGADIGQQIRDLERGCHLLVATPGRLVDMMERGKIGLDFCKYLVLDEADRMLDMGFEPQIRRIVEQDTMPPKGVRHTMMFSATFPKEIQMLARDFLDEYIFLAVGRVGSTSENITQKVVWVEESDKRSFLLDLLNATGKDSLTLVFVETKKGADSLEDFLYHEGYACTSIHGDRSQRDREEALHQFRSGKSPILVATAVAARGLDISNVKHVINFDLPSDIEEYVHRIGRTGRVGNLGLATSFFNERNINITKDLLDLLVEAKQEVPSWLENMAYEHHYKGSSRGRSKSSRFSGGFGARDYRQSSGASSSSFSSSRASSSRSGGGGHGSSRGFGGGGYGGFYNSDGYGGNYNSQGVDWWGN
  
Inhibitor
Name:
BDBM50606872
Synonyms:
CHEMBL5220543
Type:
Small organic molecule
Emp. Form.:
C22H25N9O2
Mol. Mass.:
447.493
SMILES:
CC(=O)Nc1ccc(\C=N\Nc2nc(NN3CCOCC3)nc(Nc3ccccc3)n2)cc1
Structure:
Search PDB for entries with ligand similarity: