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Target
Nonstructural protein 5A
Ligand
BDBM50547643
Substrate
n/a
Meas. Tech.
ChEMBL_2018866 (CHEMBL4672444)
IC50
0.005±n/a nM
Citation
 Ivashchenko, AA; Ivanenkov, YA; Aladinskiy, VA; Karapetian, RN; Koryakova, AG; Ryakhovskiy, AA; Mitkin, OD; Kravchenko, DV; Savchuk, NP; Zagribelnyy, BA; Ivashchenko, AV Synthesis, biological evaluation and in silico modeling of novel pan-genotypic NS5A inhibitors. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
Name:
Nonstructural protein 5A
Synonyms:
NS5A | Nonstructural protein 5A
Type:
PROTEIN
Mol. Mass.:
48587.20
Organism:
Hepatitis C virus
Description:
ChEMBL_108438
Residue:
447
Sequence:
SGSWLRDVWDWICTVLTDFKTWLQSKLLPRIPGVPFLSCQRGYKGVWRGDGIMHTTCPCGAQITGHVKNGSMRIVGPKTCSNTWHGTFPINTYTTGPCTPSPAPNYSRALWRVAAEEYVEVTRVGDFHYVTGMTTDNVKCPCQVPAPEFFTEVDGVRLHRYAPACKPLLREEVTFMVGLNQYLVGSQLPCEPEPDVTVLTSMLTDPSHITAETAGRRLARGSPPSLASSSASQLSAPSLKATCTTRHDSPDADLIEANLLWRQEMGGNITRVESENKVVILDSFDPLQAEEDEREVSVPAEILRKSRKFPRAMPIWARPDYNPPLLESWKDPDYVPPVVHGCPLPPAKAPPIPPPRRKRTVVLTESTVSSALAELATKTFGSSGSSAVDSGTATAPPDQLPGDGDSGSDVESYSSMPPLEGEPGDPDLSDGSWSTMSEEASEDVVCC
  
Inhibitor
Name:
BDBM50547643
Synonyms:
CHEMBL4764688
Type:
Small organic molecule
Emp. Form.:
C53H54Cl2N8O6
Mol. Mass.:
969.952
SMILES:
Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(C#CC#Cc2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@H](NC(=O)OC)c2ccccc2)c(c1)-c1ccc(cc1)-c1ccccc1 |r|
Structure:
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