Reaction Details | |||
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Target | Protein Nef | ||
Ligand | BDBM288043 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Measurement of Antiviral (HIV-1) Activity | ||
Temperature | 298.15±n/a K | ||
EC50 | 11.0±n/a nM | ||
Comments | extracted | ||
Citation | Miyazaki, S; Isoshima, H; Oshita, K; Kawashita, S; Nagahashi, N; Terashita, M Substituted spiropyrido[1,2-a]pyrazine derivative and medicinal use thereof as HIV integrase inhibitor US Patent US10087178 Publication Date 10/2/2018 | ||
More Info.: | Get all data from this article, Assay Method | ||
Protein Nef | |||
Name: | Protein Nef | ||
Synonyms: | 3ORF | F-protein | HIV-1 Nef | NEF_HV1BR | Negative factor | Protein Nef | nef | ||
Type: | C-terminal core protein | ||
Mol. Mass.: | 23340.47 | ||
Organism: | Human immunodeficiency virus type 1 (isolate BRU/LAI group M subtype B) | ||
Description: | P03406 | ||
Residue: | 206 | ||
Sequence: |
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BDBM288043 | |||
n/a | |||
Name | BDBM288043 | ||
Synonyms: | N-(2,4-difluorobenzyl)- trans-3,9'-dihydroxy-2'- isopropyl-1',8'-dioxo- 1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazine]- 7'-carboxamide hydrobromide | US10087178, Example S3 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H23F2N3O5 | ||
Mol. Mass. | 447.4319 | ||
SMILES | CC(C)N1C[C@@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:5.5,7.7,(7.34,4.17,;7.34,2.63,;8.67,1.86,;6,1.86,;6,.32,;4.67,-.45,;3.58,-1.54,;4.67,-2.63,;4.67,-4.17,;5.76,-1.54,;3.33,.32,;2,-.45,;.67,.32,;-.67,-.45,;-.67,-1.99,;-2,.32,;-3.33,-.45,;-4.67,.32,;-4.67,1.86,;-6,2.63,;-7.34,1.86,;-8.67,2.63,;-7.34,.32,;-6,-.45,;-6,-1.99,;.67,1.86,;-.67,2.63,;2,2.63,;2,4.17,;3.33,1.86,;4.67,2.63,;4.67,4.17,)| | ||
Structure |