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Target
Nonstructural protein 5A
Ligand
BDBM50147212
Substrate
n/a
Meas. Tech.
ChEMBL_1711585 (CHEMBL4121634)
EC50
4.0±n/a nM
Citation
 Nair, AG; Zeng, Q; Selyutin, O; Rosenblum, SB; Jiang, Y; Yang, DY; Keertikar, K; Zhou, G; Dwyer, M; Kim, SH; Shankar, B; Yu, W; Tong, L; Chen, L; Mazzola, R; Caldwell, J; Tang, H; Agrawal, S; Liu, R; Kong, R; Ingravallo, P; Xia, E; Zhai, Y; Nomeir, A; Asante-Appiah, E; Kozlowski, JA MK-8325: A silyl proline-containing NS5A inhibitor with pan-genotype activity for treatment of HCV. Bioorg Med Chem Lett 28:1954-1957 (2018) [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:
BDBM50147212
Synonyms:
CHEMBL3765311 | US11053243, Example 192
Type:
Small organic molecule
Emp. Form.:
C42H50N8O7
Mol. Mass.:
778.8958
SMILES:
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1cc2cc(ccc2o1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Structure:
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