Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50513991
Substrate
n/a
Meas. Tech.
ChEMBL_1855265 (CHEMBL4355994)
EC50
2040±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:
BDBM50513991
Synonyms:
CHEMBL4454990
Type:
Small organic molecule
Emp. Form.:
C29H38N6O6S
Mol. Mass.:
598.714
SMILES:
CCCCCOCc1c(Nc2ccc(cc2)S(N)(=O)=O)nc(nc1C(=O)NCCOc1ccccc1)N1CCOCC1
Structure:
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