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Target
Genome polyprotein
Ligand
BDBM50273980
Substrate
n/a
Meas. Tech.
ChEMBL_1713664 (CHEMBL4123713)
IC50
654±n/a nM
Citation
 Amblard, F; Zhou, S; Liu, P; Yoon, J; Cox, B; Muzzarelli, K; Kuiper, BD; Kovari, LC; Schinazi, RF Synthesis and antiviral evaluation of novel peptidomimetics as norovirus protease inhibitors. Bioorg Med Chem Lett 28:2165-2170 (2018) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
Nonstructural polyprotein | POL
Type:
PROTEIN
Mol. Mass.:
199820.32
Organism:
Norovirus Hu/GI/10360/2010/VNM
Description:
ChEMBL_117798
Residue:
1801
Sequence:
MMMASNDAIAVADVSNNNANTNNENIGSRLMAKIRGRIGPQRGETTTKIKDANMALDLLRRSQTPSPCRQTNDSAPKAQRDRPPRTASEVKRALGWDAEPEHQESTARAWCDLSKEEKEEIMRNNERLFDAGGVTPSILPSTFERTDSSGATDEQQPVTWSSSGGVDLGINDLTTVRGPFWNMCPLPPLDARNNGPAKEPLIGDMVEFYEGHIFHYAIYIGQGKTIGVHSPQAAFSIPRITIHPLVAWWRVCYVPTNQQRLTYEQLKELENEPWPYASITNNCYEFCCKVMALDDTWLQRKLVNSGKFNHPTQDWSQDTPDFHQDSKLEMVRDAVLSAINGLVSQPFKNILSKIKPLNVLSLLSNCDWTFMGVVELVVLLAELFDVFWTPPDISSFIASLLPDFHLQGPEDLAKDLVPLILGGIGLAIGFTRDKITKVMKSAVDGLRSATQLGQYGLEIFSIIKKYFFGGDQTEKTLRGIEDAVIDMEVLSSTNVTQLVKDKKLAKAYMNVLDSEEEKARKLSVRSADPHIVTSVNNLISRISMARSALAKAQAEMTSRPRPVVIMMCGPPGIGKTKAAEHLAGRLAAEIRPGGKVGLVPRESIDHWDGYHGEDVLLWDDYGMSKITEDCNKLQAIADTAPLSLNCDRIENKGMQFSSDAIIITTNAPGPAPVDFVNLGPVCRRVDFLVYCSAPEIEQTRRAHPGDTNAIKDLFKKDFSHLKMELAPQGGFDSQGNTPFGKGVMKTTTLNRLLIQATALAMERQDEFQLQGTVYNFDEDRVAAFTNLARANGLGLISMATLGKKLRSVKSMEGLRNALLGYKIGECDIVWNTRVYSVKSDGSNVIIKEKQVPSSPQHQAISTATLALSRLRAARALAYASCLQSAVLSILQVAGSALVVSRAVKRMFGTRTEQPILEGKHKEHNCRVHRAEAAGHGPIGHDGIIERYGLCESEQEGEDDHTVELPTADKEGKNKGKTKKGRGRKSNFNAFSRRGLSDEEYEEYKKVREEKGGNYSIQEYLEDRQRYEEELAEVQAGGDGGIGETEAEIRHRVFYKSKSGMRKQRQEERRQLGLVSGTEIRKRKPIDWTPPKNDWSEDTRTVNYDEHISFEAPPSIWSRVVKFGSGWGFWVSSTVFITTTHVIPPGAKEIFGENLSNIAIHRVGEFTQFRFSKKMRPDLSGMVLEEGCPEGTVCTIMIKRDSGELLPLAVRMGAVASMKIQGKLMHGQSGMLLTGANAKGMDLGTIPGDCGAPYIHKRGNDWVVCGVHAAATKSGNTVVCAIQGGEGEATLEGGDQNKGHYAGHPILRYGNGPSLSTKTKFWKSNPQPLPPGTYEPAYLGGRDPRVEGGPSLQQVLRDQLKPFAEPRGRLPEAGLLEAAVETVTNAIEQVMDAPVAWSYSDACMSLDKTTSSGYPHHKRKNDDWNGSSFVRELGDQAAHANSMYELGKSMKPVYTAALKDELVKPDKVYNKIKKRLLWGADLGTVIRAARAFGPFCEAIKPHVIKLPIKVGMNAIEDGPLIYAEHSKYKYHFDADYTAWDSTQNREIMMESFNIMCKLTANPSLAAVVAQDLLSPSEMDVGDYVISVKDGLPSGFPCTSQVNSINHWIYTLCALSEVTGLAPDVIQSQSYFSFYGDDEIVSTDIEFDSNRLTQVLKEYGLKPTRPDKTDGPIIVRQQVDGLVFLRRTISKDAIGYQGRLDRNSIERQLWWTRGPNHDDPFETLVPHTQRKVQLISLLGEAALHGEKFYRKIASRVIQEVKEGGLEIYIPGWQAMFRWMRFHDLSLWTGDRDLLPDYVNDDGV
  
Inhibitor
Name:
BDBM50273980
Synonyms:
CHEMBL4127236 | US11859014, Compound 39
Type:
Small organic molecule
Emp. Form.:
C36H41F3N4O6
Mol. Mass.:
682.7291
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: