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Target
Large T antigen
Ligand
BDBM50533446
Substrate
n/a
Meas. Tech.
ChEMBL_1925583 (CHEMBL4428655)
IC50
600±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:
BDBM50533446
Synonyms:
CHEMBL4460953
Type:
Small organic molecule
Emp. Form.:
C19H14N4O2S
Mol. Mass.:
362.405
SMILES:
CC(=O)Nc1ccc(Oc2ncccc2-c2nc3ccncc3s2)cc1
Structure:
Search PDB for entries with ligand similarity: