Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50187933
Substrate
n/a
Meas. Tech.
ChEMBL_388024 (CHEMBL869782)
Ki
200±n/a nM
Citation
Arasappan, A; Njoroge, FG; Chen, KX; Venkatraman, S; Parekh, TN; Gu, H; Pichardo, J; Butkiewicz, N; Prongay, A; Madison, V; Girijavallabhan, V P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease. Bioorg Med Chem Lett 16:3960-5 (2006) [PubMed] Article
More Info.:
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:
BDBM50187933
Synonyms:
(5S,8S,10R)-5-tert-butyl-3,6-dioxo-2,11,15-trioxa-4,7-diaza-tricyclo[14.3.1.1*7,10*]henicosa-1(20),16,18-triene-8-carboxylic acid [1-((S)-dimethylcarbamoyl-phenyl-methyl)-carbamoyl]-methyl)-aminooxalyl)-butyl)-amide | CHEMBL214366
Type:
Small organic molecule
Emp. Form.:
C39H52N6O10
Mol. Mass.:
764.8644
SMILES:
CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Oc1cccc(OCCCO2)c1)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1