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Target
Nonstructural protein 5A
Ligand
BDBM50387084
Substrate
n/a
Meas. Tech.
ChEMBL_2071939 (CHEMBL4727473)
EC50
1260±n/a nM
Citation
 Nakamura, H; Fujioka, S; Terui, T; Okuda, S; Kondo, K; Tamatani, Y; Akagi, Y; Komoda, Y; Kinoshita, W; Ito, S; Maeda, K; Ukaji, Y; Inaba, T Orally bioavailable HCV NS5A inhibitors of unsymmetrical structural class. Bioorg Med Chem Lett 30:0 (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:
BDBM50387084
Synonyms:
BMS-790052 | DACLATASVIR
Type:
Small organic molecule
Emp. Form.:
C40H50N8O6
Mol. Mass.:
738.875
SMILES:
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Structure:
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