Target
Genome polyprotein
Ligand
BDBM50187938
Substrate
n/a
Meas. Tech.
ChEMBL_388024 (CHEMBL869782)
Ki
6±n/a nM
Citation
 Arasappan, ANjoroge, FGChen, KXVenkatraman, SParekh, TNGu, HPichardo, JButkiewicz, NProngay, AMadison, VGirijavallabhan, V P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease. Bioorg Med Chem Lett 16:3960-5 (2006) [PubMed]  Article 
Target
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
  
Inhibitor
Name:
BDBM50187938
Synonyms:
3-{(7R,9S,12S)-9-[1-((S)-dimethylcarbamoyl-phenyl-methyl)-carbamoyl]-methyl}-aminooxalyl)-butylcarbamoyl)-11,14-dioxo-2,6-dioxa-10,13-diaza-tricyclo[14.3.1.1*7,10*]henicosa-1(19),16(20),17-trien-12-yl)-cyclohexanecarboxylic acid | CHEMBL213544
Type:
Small organic molecule
Emp. Form.:
C43H56N6O11
Mol. Mass.:
832.9383
SMILES:
CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCC(C1)C(O)=O)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: