Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50513990
Substrate
n/a
Meas. Tech.
ChEMBL_1855250 (CHEMBL4355979)
EC50
800±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:
BDBM50513990
Synonyms:
CHEMBL4469323
Type:
Small organic molecule
Emp. Form.:
C23H28N3O10P
Mol. Mass.:
537.4563
SMILES:
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@](O)(C#C)[C@@H]1O)Oc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: