Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50513998
Substrate
n/a
Meas. Tech.
ChEMBL_1855272 (CHEMBL4356001)
EC50
4800±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:
BDBM50513998
Synonyms:
CHEMBL4441902
Type:
Small organic molecule
Emp. Form.:
C30H27N3O4S
Mol. Mass.:
525.618
SMILES:
O=C1N(CCc2ccc(cc2)S(=O)(=O)N2CCN(CC2)c2ccccc2)C(=O)c2cccc3cccc1c23
Structure:
Search PDB for entries with ligand similarity: