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Target
Genome polyprotein [1658-1692]
Ligand
BDBM92630
Substrate
n/a
Meas. Tech.
FRET-Based Assay
Temperature
298.15±0 K
Kd
22±n/a nM
Citation
 Saalau-Bethell, SM; Woodhead, AJ; Chessari, G; Carr, MG; Coyle, J; Graham, B; Hiscock, SD; Murray, CW; Pathuri, P; Rich, SJ; Richardson, CJ; Williams, PA; Jhoti, H Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function. Nat Chem Biol 8:920-5 (2012) [PubMed]  Article 
Target
Name:
Genome polyprotein [1658-1692]
Synonyms:
NS3 Protein | Single chain N-terminally linked NS4a 21-32 NS3 3-631
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
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:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAGTRTIASSKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDGRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVEGLETTMRSPVFSDNSSPPAVPQSYQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSILGIGTVLDQAETAGARLTVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIKGGRHLIFCHSKKKCDELAAKLVALGVNAVAYYRGLDVSVIPASGDVVVVATDALMTGFTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVTPGERPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLTHIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLYRLGAVQNEITLTHPITKYIMTCMSADLEVVT
  
Component 2
Name:
Genome polyprotein [1658-1692]
Synonyms:
NS4A Protein | POLG_HCVTW
Type:
Protein
Mol. Mass.:
3488.19
Organism:
Hepatitis C virus
Description:
F4YQW6
Residue:
35
Sequence:
STWVLVGGVLAALAAYCLTTGSVVIVGRIILSGKP
  
Inhibitor
Name:
BDBM92630
Synonyms:
(3S)-N-(2-aminoethyl)-3-{[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]amino}butanamide, 6
Type:
Small molecule
Emp. Form.:
C21H27ClFN3O2
Mol. Mass.:
407.909
SMILES:
CC[C@@H](N[C@@H](C)CC(=O)NCCN)c1ccc(Cl)c(Oc2ccccc2)c1F |r|
Structure:
Search PDB for entries with ligand similarity: