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Target
Nonstructural protein 5A
Ligand
BDBM50453114
Substrate
n/a
Meas. Tech.
ChEMBL_1749040 (CHEMBL4183550)
EC50
0.019±n/a nM
Citation
 Wagner, R; Randolph, JT; Patel, SV; Nelson, L; Matulenko, MA; Keddy, R; Pratt, JK; Liu, D; Krueger, AC; Donner, PL; Hutchinson, DK; Flentge, C; Betebenner, D; Rockway, T; Maring, CJ; Ng, TI; Krishnan, P; Pilot-Matias, T; Collins, C; Panchal, N; Reisch, T; Dekhtyar, T; Mondal, R; Stolarik, DF; Gao, Y; Gao, W; Beno, DA; Kati, WM Highlights of the Structure-Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the Hepatitis C Virus NS5A Inhibitor Pibrentasvir (ABT-530). J Med Chem 61:4052-4066 (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:
BDBM50453114
Synonyms:
CHEMBL4211348
Type:
Small organic molecule
Emp. Form.:
C47H56F3N9O7
Mol. Mass.:
915.9988
SMILES:
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Structure:
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