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Target
Genome polyprotein/Non-structural protein 4A
Ligand
BDBM50120045
Substrate
n/a
Meas. Tech.
ChEMBL_79053 (CHEMBL877208)
Ki
610±n/a nM
Citation
 Sperandio, D; Gangloff, AR; Litvak, J; Goldsmith, R; Hataye, JM; Wang, VR; Shelton, EJ; Elrod, K; Janc, JW; Clark, JM; Rice, K; Weinheimer, S; Yeung, KS; Meanwell, NA; Hernandez, D; Staab, AJ; Venables, BL; Spencer, JR Highly potent non-peptidic inhibitors of the HCV NS3/NS4A serine protease. Bioorg Med Chem Lett 12:3129-33 (2002) [PubMed]  Article 
Target
Name:
Genome polyprotein/Non-structural protein 4A
Synonyms:
Hepatitis C virus serine protease, NS3/NS4A
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1969955
Components:
This complex has 2 components.
Component 1
Name:
Non-structural protein 4A
Synonyms:
Hepatitis C virus NS4A protein | Hepatitis C virus serine protease, NS3/NS4A | Non-structural protein 4A
Type:
PROTEIN
Mol. Mass.:
5762.65
Organism:
Hepatitis C virus
Description:
ChEMBL_305334
Residue:
54
Sequence:
STWVLLGGVLAALAAYCLSVGCVVIVGYIELGGKPALVPDKEVCYQQYDEMEEC
  
Component 2
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:
BDBM50120045
Synonyms:
2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-(2,2-dimethyl-propyl)-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid | CHEMBL104015
Type:
Small organic molecule
Emp. Form.:
C24H28N5O6P
Mol. Mass.:
513.4828
SMILES:
CC(C)(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: