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Target
ATP-dependent RNA helicase DDX3X
Ligand
BDBM50274222
Substrate
n/a
Meas. Tech.
ChEMBL_536689 (CHEMBL995080)
IC50
500000±n/a nM
Citation
 Maga, G; Falchi, F; Garbelli, A; Belfiore, A; Witvrouw, M; Manetti, F; Botta, M Pharmacophore modeling and molecular docking led to the discovery of inhibitors of human immunodeficiency virus-1 replication targeting the human cellular aspartic acid-glutamic acid-alanine-aspartic acid box polypeptide 3. J Med Chem 51:6635-8 (2008) [PubMed]  Article 
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:
BDBM50274222
Synonyms:
5-amino-3-(2-(5-(3-chlorophenyl)furan-2-yl)-1-cyanovinyl)-1-phenyl-1H-pyrazole-4-carbonitrile | CHEMBL500746
Type:
Small organic molecule
Emp. Form.:
C23H14ClN5O
Mol. Mass.:
411.843
SMILES:
Nc1c(C#N)c(nn1-c1ccccc1)C(=C\c1ccc(o1)-c1cccc(Cl)c1)\C#N
Structure:
Search PDB for entries with ligand similarity: