| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein [1424-1463]/[1502-1685] |
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| Ligand | BDBM24741 |
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| Substrate/Competitor | BDBM24729 |
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| Meas. Tech. | In Vitro Enzyme Inhibition |
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| pH | 9.5±n/a |
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| Temperature | 310.15±n/a K |
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| Ki | 28±n/a nM |
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| IC50 | 154±n/a nM |
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| Citation |  Stoermer, MJ; Chappell, KJ; Liebscher, S; Jensen, CM; Gan, CH; Gupta, PK; Xu, WJ; Young, PR; Fairlie, DP Potent cationic inhibitors of West Nile virus NS2B/NS3 protease with serum stability, cell permeability and antiviral activity. J Med Chem51:5714-21 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Genome polyprotein [1424-1463]/[1502-1685] |
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| Name: | Genome polyprotein [1424-1463]/[1502-1685] |
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| Synonyms: | WNV CF40.Gly.NS3Pro | WNV NS2B(H):NS3 | West Nile Virus (WNV) NS2B-NS3 Protease |
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| Type: | Cofactor/Enzyme |
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| Mol. Mass.: | n/a |
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| Description: | It is the catalytically active recombinant WNV protease, consisting of a 40-residue component of cofactor NS2B tethered via a nonapeptide (G4SG4) to the N-terminal 184 residues of NS3. |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Genome polyprotein [1424-1463] |
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| Synonyms: | Flavivirin protease NS2B regulatory subunit | NS2B | POLG_WNV |
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| Type: | Cofactor Domain |
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| Mol. Mass.: | 4431.59 |
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| Organism: | West Nile virus (WNV) |
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| Description: | P06935[1424-1463] |
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| Residue: | 40 |
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| Sequence: | IERTADITWESDAEITGSSERVDVRLDDDGNFQLMNDPGA
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| Component 2 |
| Name: | Genome polyprotein [1502-1685] |
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| Synonyms: | Flavivirin protease NS3 catalytic subunit | NS3 | POLG_WNV |
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| Type: | Catalytic Subunit |
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| Mol. Mass.: | 19839.27 |
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| Organism: | West Nile virus (WNV) |
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| Description: | P06935[1502-1685] |
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| Residue: | 184 |
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| Sequence: | GGVLWDTPSPKEYKKGDTTTGVYRIMTRGLLGSYQAGAGVMVEGVFHTLWHTTKGAALMS
GEGRLDPYWGSVKEDRLCYGGPWKLQHKWNGHDEVQMIVVEPGKNVKNVQTKPGVFKTPE
GEIGAVTLDYPTGTSGSPIVDKNGDVIGLYGNGVIMPNGSYISAIVQGERMEEPAPAGFE
PEML
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| BDBM24741 |
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| BDBM24729 |
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| Name | BDBM24741 |
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| Synonyms: | (2S)-6-amino-N-[(2S)-5-carbamimidamido-1-oxopentan-2-yl]-2-[(2S)-5-carbamimidamido-2-(1-phenylacetamido)pentanamido]hexanamide | Capped tripeptide aldehyde inhibitor, 29 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H44N10O4 |
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| Mol. Mass. | 560.6922 |
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| SMILES | [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| |
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| Structure | 
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