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Target
Protein Nef
Ligand
BDBM288088
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
4.30±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:
BDBM288088
Synonyms:
N-(3-chloro-2-fluorobenzyl)- cis-3-(ethoxymethyl)-2'- ethyl-9'-hydroxy-1',8'- dioxo-1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazine]- 7'-carboxamide hydrochloride | US10087178, Example S48
Type:
Small organic molecule
Emp. Form.:
C24H27ClFN3O5
Mol. Mass.:
491.94
SMILES:
CCOC[C@H]1C[C@@]2(C1)CN(CC)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:6.6,wD:4.3,(8.67,-4.55,;7.34,-3.78,;6,-4.55,;4.67,-3.78,;4.67,-2.24,;5.76,-1.16,;4.67,-.07,;3.58,-1.16,;6,.7,;6,2.24,;7.34,3.01,;8.67,2.24,;4.67,3.01,;4.67,4.55,;3.33,2.24,;2,3.01,;2,4.55,;.67,2.24,;-.67,3.01,;.67,.7,;2,-.07,;3.33,.7,;-.67,-.07,;-.67,-1.61,;-2,.7,;-3.33,-.07,;-4.67,.7,;-4.67,2.24,;-6,3.01,;-7.34,2.24,;-7.34,.7,;-8.67,-.07,;-6,-.07,;-6,-1.61,)|
Structure:
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