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Target
Protein Nef
Ligand
BDBM288091
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
2.40±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:
BDBM288091
Synonyms:
N-(2,4-difluorobenzyl)-cis- 3-ethoxy-9'-hydroxy-2'- methyl-1',8'-dioxo- 1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazine]- 7'-carboxamide hydrochloride | US10087178, Example S51
Type:
Small organic molecule
Emp. Form.:
C22H23F2N3O5
Mol. Mass.:
447.4319
SMILES:
CCO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:5.5,wD:3.2,(6.67,-5.32,;6.67,-3.78,;5.33,-3.01,;5.33,-1.47,;6.42,-.39,;5.33,.7,;4.25,-.39,;6.67,1.47,;6.67,3.01,;8,3.78,;5.33,3.78,;5.33,5.32,;4,3.01,;2.67,3.78,;2.67,5.32,;1.33,3.01,;,3.78,;1.33,1.47,;2.67,.7,;4,1.47,;,.7,;,-.84,;-1.33,1.47,;-2.67,.7,;-4,1.47,;-4,3.01,;-5.33,3.78,;-6.67,3.01,;-8,3.78,;-6.67,1.47,;-5.33,.7,;-5.33,-.84,)|
Structure:
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