| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Nonstructural protein 5A |
|---|
| Ligand | BDBM50453118 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1749040 (CHEMBL4183550) |
|---|
| EC50 | 0.003±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 Chem61:4052-4066 (2018) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Nonstructural protein 5A |
|---|
| 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: | SGSWLRDVWDWICTVLTDFKTWLQSKLLPRIPGVPFLSCQRGYKGVWRGDGIMHTTCPCG
AQITGHVKNGSMRIVGPKTCSNTWHGTFPINTYTTGPCTPSPAPNYSRALWRVAAEEYVE
VTRVGDFHYVTGMTTDNVKCPCQVPAPEFFTEVDGVRLHRYAPACKPLLREEVTFMVGLN
QYLVGSQLPCEPEPDVTVLTSMLTDPSHITAETAGRRLARGSPPSLASSSASQLSAPSLK
ATCTTRHDSPDADLIEANLLWRQEMGGNITRVESENKVVILDSFDPLQAEEDEREVSVPA
EILRKSRKFPRAMPIWARPDYNPPLLESWKDPDYVPPVVHGCPLPPAKAPPIPPPRRKRT
VVLTESTVSSALAELATKTFGSSGSSAVDSGTATAPPDQLPGDGDSGSDVESYSSMPPLE
GEPGDPDLSDGSWSTMSEEASEDVVCC
|
|
|
|---|
| BDBM50453118 |
|---|
| n/a |
|---|
| Name | BDBM50453118 |
|---|
| Synonyms: | CHEMBL4204257 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C57H67F3N10O6 |
|---|
| Mol. Mass. | 1045.2005 |
|---|
| SMILES | COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| |
|---|
| Structure | 
|
|---|
Search and Browse
