Reaction Details Report a problem with these data
Target
Non-structural protein 4A
Ligand
BDBM50158808
Substrate
n/a
Meas. Tech.
ChEMBL_305030 (CHEMBL831669)
IC50
200±n/a nM
Citation
 Gordon, CP; Keller, PA Control of hepatitis C: a medicinal chemistry perspective. J Med Chem 48:1-20 (2005) [PubMed]  Article 
Target
Name:
Non-structural protein 4A
Synonyms:
Hepatitis C virus NS4A protein | Hepatitis C virus serine protease, NS3/NS4A | Non-structural protein 4A
Type:
PROTEIN
Mol. Mass.:
5762.65
Organism:
Hepatitis C virus
Description:
ChEMBL_305334
Residue:
54
Sequence:
STWVLLGGVLAALAAYCLSVGCVVIVGYIELGGKPALVPDKEVCYQQYDEMEEC
  
Inhibitor
Name:
BDBM50158808
Synonyms:
CHEMBL408166 | Cys-Val-Val-Ile-Val-Gly-Arg-Ile-Val-Leu-Ser-Gly-Lys
Type:
Small organic molecule
Emp. Form.:
C60H111N17O15S
Mol. Mass.:
1342.693
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O
Structure:
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