Reaction Details Report a problem with these data
Target
Nonstructural protein 3
Ligand
BDBM50513992
Substrate
n/a
Meas. Tech.
ChEMBL_1855235 (CHEMBL4355964)
Ki
40±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:
Nonstructural protein 3
Synonyms:
Genome polyprotein | NS3
Type:
PROTEIN
Mol. Mass.:
7653.58
Organism:
Zika virus
Description:
ChEMBL_119671
Residue:
66
Sequence:
AETDEDHAHWLEARMLLDNIYLQDGLIASLYRPEADKVAAIEGEFKLRTEQRKTFVELMKRGDLPV
  
Inhibitor
Name:
BDBM50513992
Synonyms:
CHEMBL3919119
Type:
Small organic molecule
Emp. Form.:
C22H31BN6O4
Mol. Mass.:
454.33
SMILES:
NCc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)B(O)O)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: