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Target
Nonstructural protein 5A
Ligand
BDBM50531961
Substrate
n/a
Meas. Tech.
ChEMBL_1921646 (CHEMBL4424491)
EC50
>1.000000±n/a nM
Citation
 Yu, W; Hu, B; Zhong, B; Hao, J; Lei, Z; Agrawal, S; Rokosz, L; Liu, R; Chen, S; Asante-Appiah, E; Kozlowski, JA Discovery of novel pan-genotypic HCV NS5A inhibitors containing a novel tetracyclic core. Bioorg Med Chem Lett 29:700-706 (2019) [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:
BDBM50531961
Synonyms:
CHEMBL4577499
Type:
Small organic molecule
Emp. Form.:
C45H49FN8O8
Mol. Mass.:
848.9178
SMILES:
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2c(F)c3oc4ccc(cc4c(=O)c3cc2c1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Structure:
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