Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGenome polyprotein/Non-structural protein 4A
LigandBDBM50120020
Substrate/Competitorn/a
Meas. Tech.ChEMBL_79053 (CHEMBL877208)
Ki 270±n/a nM
Citation Sperandio, DGangloff, ARLitvak, JGoldsmith, RHataye, JMWang, VRShelton, EJElrod, KJanc, JWClark, JMRice, KWeinheimer, SYeung, KSMeanwell, NAHernandez, DStaab, AJVenables, BLSpencer, JR Highly potent non-peptidic inhibitors of the HCV NS3/NS4A serine protease. Bioorg Med Chem Lett12:3129-33 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Genome polyprotein/Non-structural protein 4A
Name:Genome polyprotein/Non-structural protein 4A
Synonyms:Hepatitis C virus serine protease, NS3/NS4A
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 1969955
Components:This complex has 2 components.
Component 1
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Genome polyprotein
Synonyms:Hepatitis C virus NS3 protease/helicase | Hepatitis C virus serine protease, NS3/NS4A
Type:Protein
Mol. Mass.:67067.41
Organism:Hepatitis C virus
Description:A3EZI9
Residue:631
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAG
TRTIASSKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRG
DGRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVEGLETTMR
SPVFSDNSSPPAVPQSYQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGA
YMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSI
LGIGTVLDQAETAGARLTVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIK
GGRHLIFCHSKKKCDELAAKLVALGVNAVAYYRGLDVSVIPASGDVVVVATDALMTGFTG
DFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVTPGE
RPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLT
HIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLY
RLGAVQNEITLTHPITKYIMTCMSADLEVVT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50120020
n/a
NameBDBM50120020
Synonyms:2-{[2-(4,5-Difluoro-1H-benzoimidazol-2-ylmethyl)-3-methyl-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid | CHEMBL323758
TypeSmall organic molecule
Emp. Form.C20H18F2N5O6P
Mol. Mass.493.3574
SMILESCn1c(Cc2nc3ccc(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: