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Target
Protein Nef
Ligand
BDBM288043
Substrate
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 
Target
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:
MGGKWSKSSVVGWPTVRERMRRAEPAADGVGAASRDLEKHGAITSSNTAATNAACAWLEAQEEEEVGFPVTPQVPLRPMTYKAAVDLSHFLKEKGGLEGLIHSQRRQDILDLWIYHTQGYFPDWQNYTPGPGVRYPLTFGWCYKLVPVEPDKVEEANKGENTSLLHPVSLHGMDDPEREVLEWRFDSRLAFHHVARELHPEYFKNC
  
Inhibitor
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:
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