Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50506842
Substrate
n/a
Meas. Tech.
ChEMBL_1855275 (CHEMBL4356004)
IC50
79000±n/a nM
Citation
 Bernatchez, JA; Tran, LT; Li, J; Luan, Y; Siqueira-Neto, JL; Li, R Drugs for the Treatment of Zika Virus Infection. J Med Chem 63:470-489 (2020) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
NS5
Type:
PROTEIN
Mol. Mass.:
39098.80
Organism:
Zika virus
Description:
ChEMBL_119669
Residue:
340
Sequence:
EFGKAKGSRAIWYMWLGARFLEFEALGFLNEDHWMGRENSGGGVEGLGLQRLGYVLEEMSRIPGGRMYADDTAGWDTRISRFDLENEALITNQMEKGHRALALAIIKYTYQNKVVKVLRPAEKGKTVMDIISRQDQRGSGQVVTYALNTFTNLVVQLIRNMEAEEVLEMQDLWLLRRSEKVTNWLQSNGWDRLKRMAVSGDDCVVKPIDDRFAHALRFLNDMGKVRKDTQEWKPSTGWDNWEEVPFCSHHFNKLHLKDGRSIVVPCRHQDELIGRARVSPGAGWSIRETACLAKSYAQMWQLLYFHRRDLRLMANAICSSVPVDWVPTGRTTWSIHGKGE
  
Inhibitor
Name:
BDBM50506842
Synonyms:
CHEMBL3899268
Type:
Small organic molecule
Emp. Form.:
C21H17F3N4O5S
Mol. Mass.:
494.444
SMILES:
Nc1cc(ccc1NC(=O)Nc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C(O)=O)C(F)(F)F
Structure:
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