Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50239940
Substrate
n/a
Meas. Tech.
ChEMBL_1855333 (CHEMBL4356062)
EC50
120±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:
BDBM50239940
Synonyms:
CHEBI:85083 | PSI-7977, GS-7977 | Sofosbuvir | Sovaldi
Type:
Small organic molecule
Emp. Form.:
C22H29FN3O9P
Mol. Mass.:
529.4525
SMILES:
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 |r|
Structure:
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