Reaction Details |
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Target | Nonstructural protein 5A |
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Ligand | BDBM50547650 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2018864 (CHEMBL4672442) |
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IC50 | 0.642±n/a nM |
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Citation | Ivashchenko, AA; Ivanenkov, YA; Aladinskiy, VA; Karapetian, RN; Koryakova, AG; Ryakhovskiy, AA; Mitkin, OD; Kravchenko, DV; Savchuk, NP; Zagribelnyy, BA; Ivashchenko, AV Synthesis, biological evaluation and in silico modeling of novel pan-genotypic NS5A inhibitors. Bioorg Med Chem28:0 (2020) [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 |
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
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BDBM50547650 |
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n/a |
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Name | BDBM50547650 |
Synonyms: | CHEMBL4797491 |
Type | Small organic molecule |
Emp. Form. | C48H62Cl4N8O6 |
Mol. Mass. | 988.868 |
SMILES | Cl.Cl.Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1-c1ccc(cc1)C(C)(C)C)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| |
Structure |
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