Target
Genome polyprotein
Ligand
BDBM50037460
Substrate
n/a
Meas. Tech.
ChEMBL_1437305 (CHEMBL3384808)
Ki
1300±n/a nM
Citation
 Lampa, AAlogheli, HEhrenberg, AEÅkerblom, ESvensson, RArtursson, PDanielson, UHKarlén, ASandström, A Vinylated linear P2 pyrimidinyloxyphenylglycine based inhibitors of the HCV NS3/4A protease and corresponding macrocycles. Bioorg Med Chem 22:6595-615 (2015) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
Nonstructural protein NS3-4A
Type:
PROTEIN
Mol. Mass.:
71633.49
Organism:
Hepatitis C virus
Description:
ChEMBL_109716
Residue:
674
Sequence:
SPITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVCWTVFHGAGSKTLAGPKGPITQMYTNVDQDLVGWMAPPGARSMTPCTCGSSDLYLVTRHADVIPVRRRGDGRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFVPVESMETTMRSPVFTDNSSPPAVPQTFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAGTDPNIRTGVRTITTGAPITYSTYGKFLADGGCSGGAYDIICDECHSTDSTTLGIGTVLDQAETAGARLVVLATATPPGSTVPHPNIEEVALSTTGEIPFYGKAIPIETIKGGRHLIFCHSKKKCDELAGKLSALGLNAVAYYRGLDVSVIPTSGDVVVVATDALMTGYTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTVPQDAVSRSQRRGRTGRGRGIYRFVTPGERPSGMFDSSVLCECYDAGCAWYELTPAETTRLRAYLNTPGLPVCQDHLEFWEGVFTGLTIDAHFLSQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLRLKPTLHGPTPLLYRLGAVQNEITLTHPITKIMTCMSADLEVVTSTWVLVGGVLAALAAYCLTTGSVVIVGRIILSGRPAVPDREVLYEFDEMEEC
  
Inhibitor
Name:
BDBM50037460
Synonyms:
CHEMBL3356712
Type:
Small organic molecule
Emp. Form.:
C35H35N5O8S
Mol. Mass.:
685.746
SMILES:
COc1cc(Oc2ccc3cc2\C=C\CCS(=O)(=O)NC(=O)c2ccccc2NC(=O)[C@H]3NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1 |r,t:13|
Structure:
Search PDB for entries with ligand similarity: