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Target
Nonstructural protein 5A
Ligand
BDBM50547634
Substrate
n/a
Meas. Tech.
ChEMBL_2018865 (CHEMBL4672443)
IC50
0.001±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:
BDBM50547634
Synonyms:
CHEMBL4747100
Type:
Small organic molecule
Emp. Form.:
C50H56Cl2N8O6
Mol. Mass.:
935.936
SMILES:
Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1-c1cccc(c1)-c1ccccc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Structure:
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