| Reaction Details |
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 | Report a problem with these data |
| Target | Nonstructural protein 5A |
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| Ligand | BDBM50453100 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1749042 (CHEMBL4183552) |
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| EC50 | 0.064±n/a nM |
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| 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 Chem61:4052-4066 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Nonstructural protein 5A |
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| Name: | Nonstructural protein 5A |
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| Synonyms: | NS5A | Nonstructural protein 5A |
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| Type: | PROTEIN |
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| Mol. Mass.: | 48587.20 |
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| Organism: | Hepatitis C virus |
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| Description: | ChEMBL_108438 |
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| Residue: | 447 |
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| Sequence: | SGSWLRDVWDWICTVLTDFKTWLQSKLLPRIPGVPFLSCQRGYKGVWRGDGIMHTTCPCG
AQITGHVKNGSMRIVGPKTCSNTWHGTFPINTYTTGPCTPSPAPNYSRALWRVAAEEYVE
VTRVGDFHYVTGMTTDNVKCPCQVPAPEFFTEVDGVRLHRYAPACKPLLREEVTFMVGLN
QYLVGSQLPCEPEPDVTVLTSMLTDPSHITAETAGRRLARGSPPSLASSSASQLSAPSLK
ATCTTRHDSPDADLIEANLLWRQEMGGNITRVESENKVVILDSFDPLQAEEDEREVSVPA
EILRKSRKFPRAMPIWARPDYNPPLLESWKDPDYVPPVVHGCPLPPAKAPPIPPPRRKRT
VVLTESTVSSALAELATKTFGSSGSSAVDSGTATAPPDQLPGDGDSGSDVESYSSMPPLE
GEPGDPDLSDGSWSTMSEEASEDVVCC
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| BDBM50453100 |
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| n/a |
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| Name | BDBM50453100 |
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| Synonyms: | A-1325912.0 | ABT-530 | Pibrentasvir |
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| Type | Small organic molecule |
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| Emp. Form. | C57H65F5N10O8 |
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| Mol. Mass. | 1113.1802 |
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| SMILES | CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@@H](N3c3cc(F)c(N4CCC(CC4)c4ccc(F)cc4)c(F)c3)c3cc4nc([nH]c4cc3F)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)c(F)cc2[nH]1 |r| |
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| Structure | 
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