Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288075
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
7.30±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:
BDBM288075
Synonyms:
7'-(2,4- difluorobenzylcarbamoyl)-9'- hydroxy-2'-isopropyl-1',8'- dioxo-1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazine]- cis-3-yl methanesulfonate hydrochloride | US10087178, Example S35
Type:
Small organic molecule
Emp. Form.:
C23H25F2N3O7S
Mol. Mass.:
525.522
SMILES:
CC(C)N1C[C@]2(C[C@@H](C2)OS(C)(=O)=O)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:5.8,wD:7.9,(8.67,3.01,;7.34,3.78,;7.34,5.32,;6,3.01,;6,1.47,;4.67,.7,;5.76,-.39,;4.67,-1.47,;3.58,-.39,;4.67,-3.01,;6,-3.78,;6,-5.32,;7.54,-3.78,;6.77,-2.45,;3.33,1.47,;2,.7,;.67,1.47,;-.67,.7,;-.67,-.84,;-2,1.47,;-3.33,.7,;-4.67,1.47,;-4.67,3.01,;-6,3.78,;-7.34,3.01,;-8.67,3.78,;-7.34,1.47,;-6,.7,;-6,-.84,;.67,3.01,;-.67,3.78,;2,3.78,;2,5.32,;3.33,3.01,;4.67,3.78,;4.67,5.32,)|
Structure:
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