Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288132
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
1.10±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:
BDBM288132
Synonyms:
7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(methoxymethyl)-2'-methyl- 1',8'-dioxo-1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazin]- 9'-yl 2- (dimethylamino)acetate dihydrochloride | US10087178, Example S73
Type:
Small organic molecule
Emp. Form.:
C26H30ClFN4O6
Mol. Mass.:
548.991
SMILES:
COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)CN(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(8,-4.94,;6.67,-5.71,;5.33,-4.94,;5.33,-3.4,;6.42,-2.31,;5.33,-1.22,;4.25,-2.31,;6.67,-.45,;6.67,1.09,;8,1.86,;5.33,1.86,;5.33,3.4,;4,1.09,;2.67,1.86,;2.67,3.4,;1.33,4.17,;1.33,5.71,;,3.4,;-1.33,4.17,;-2.67,3.4,;-1.33,5.71,;1.33,1.09,;,1.86,;1.33,-.45,;2.67,-1.22,;4,-.45,;,-1.22,;,-2.76,;-1.33,-.45,;-2.67,-1.22,;-4,-.45,;-4,1.09,;-5.33,1.86,;-6.67,1.09,;-6.67,-.45,;-8,-1.22,;-5.33,-1.22,;-5.33,-2.76,)|
Structure:
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