Reaction Details Report a problem with these data
Target
Large T antigen
Ligand
BDBM50533428
Substrate
n/a
Meas. Tech.
ChEMBL_1925583 (CHEMBL4428655)
IC50
5500±n/a nM
Citation
 Bonafoux, D; Nanthakumar, S; Bandarage, UK; Memmott, C; Lowe, D; Aronov, AM; Bhisetti, GR; Bonanno, KC; Coll, J; Leeman, J; Lepre, CA; Lu, F; Perola, E; Rijnbrand, R; Taylor, WP; Wilson, D; Zhou, Y; Zwahlen, J; Ter Haar, E Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors. J Med Chem 59:7138-51 (2016) [PubMed]  Article 
Target
Name:
Large T antigen
Synonyms:
3.6.4.- | LT-AG | LT_POVJC | Large T antigen
Type:
PROTEIN
Mol. Mass.:
79315.94
Organism:
JC polyomavirus
Description:
ChEMBL_118913
Residue:
688
Sequence:
MDKVLNREESMELMDLLGLDRSAWGNIPVMRKAYLKKCKELHPDKGGDEDKMKRMNFLYKKMEQGVKVAHQPDFGTWNSSEVPTYGTDEWESWWNTFNEKWDEDLFCHEEMFASDDENTGSQHSTPPKKKKKVEDPKDFPVDLHAFLSQAVFSNRTVASFAVYTTKEKAQILYKKLMEKYSVTFISRHGFGGHNILFFLTPHRHRVSAINNYCQKLCTFSFLICKGVNKEYLFYSALCRQPYAVVEESIQGGLKEHDFNPEEPEETKQVSWKLVTQYALETKCEDVFLLMGMYLDFQENPQQCKKCEKKDQPNHFNHHEKHYYNAQIFADSKNQKSICQQAVDTVAAKQRVDSIHMTREEMLVERFNFLLDKMDLIFGAHGNAVLEQYMAGVAWIHCLLPQMDTVIYDFLKCIVLNIPKKRYWLFKGPIDSGKTTLAAALLDLCGGKSLNVNMPLERLNFELGVGIDQFMVVFEDVKGTGAESRDLPSGHGISNLDCLRDYLDGSVKVNLERKHQNKRTQVFPPGIVTMNEYSVPRTLQARFVRQIDFRPKAYLRKSLSCSEYLLEKRILQSGMTLLLLLIWFRPVADFAAAIHERIVQWKERLDLEISMYTFSTMKANVGMGRPILDFPREEDSEAEDSGHGSSTESQSQCFSQVSEASGADTQENCTFHICKGFQCFKKPKTPPPK
  
Inhibitor
Name:
BDBM50533428
Synonyms:
CHEMBL4521406
Type:
Small organic molecule
Emp. Form.:
C14H9N5OS
Mol. Mass.:
295.319
SMILES:
O(c1ccccc1)c1ccncc1-c1nn2cnnc2s1
Structure:
Search PDB for entries with ligand similarity: