Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGenome polyprotein [1027-1657]
LigandBDBM97758
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
pH7.5±n/a
Temperature310.15±n/a K
IC50 2±n/a nM
Commentsextracted
Citation Casarez, AJi, MKim, CUSheng, XCWu, Q Antiviral compounds US Patent US8476225 Publication Date 7/2/2013
More Info.:Get all data from this article,  Assay Method
 
Genome polyprotein [1027-1657]
Name:Genome polyprotein [1027-1657]
Synonyms:POLG_HCV1 | Serine protease NS3
Type:n/a
Mol. Mass.:67260.74
Organism:Hepatitis C virus genotype 1a (isolate 1) (HCV)
Description:1027-1657 aa of P26664
Residue:631
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAG
TRTIASPKGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRG
DSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVENLETTMR
SPVFTDNSSPPVVPQSFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGA
YMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSI
LGIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEVIK
GGRHLIFCHSKKKCDELAAKLVALGINAVAYYRGLDVSVIPTSGDVVVVATDALMTGYTG
DFDSVIDCNTCVTQTVDFSLDPTFTIETITLPQDAVSRTQRRGRTGRGKPGIYRFVAPGE
RPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLT
HIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLY
RLGAVQNEITLTHPVTKYIMTCMSADLEVVT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM97758
n/a
NameBDBM97758
Synonyms:US8476225, 19
TypeSmall organic molecule
Emp. Form.C31H42ClN5O9S2
Mol. Mass.728.276
SMILESCC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1CN(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: