Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50141207
Substrate
n/a
Meas. Tech.
ChEBML_143639
Ki
430±n/a nM
Citation
Perni, RB; Pitlik, J; Britt, SD; Court, JJ; Courtney, LF; Deininger, DD; Farmer, LJ; Gates, CA; Harbeson, SL; Levin, RB; Lin, C; Lin, K; Moon, YC; Luong, YP; O'Malley, ET; Rao, BG; Thomson, JA; Tung, RD; Van Drie, JH; Wei, Y Inhibitors of hepatitis C virus NS3.4A protease 2. Warhead SAR and optimization. Bioorg Med Chem Lett 14:1441-6 (2004) [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:
BDBM50141207
Synonyms:
3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (S)-5-((R)-2,3-dioxo-4-phenyl-1-propyl-butylcarbamoyl)-1-((R)-3-methyl-2-{(R)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-pyrrolidin-3-yl ester | CHEMBL287692
Type:
Small organic molecule
Emp. Form.:
C43H53N7O8
Mol. Mass.:
795.923
SMILES:
CCCC(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)N1CCc2ccccc2C1)C(=O)C(=O)Cc1ccccc1