Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288111
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
2.50±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:
BDBM288111
Synonyms:
Production of Monopotassium 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′-olate | US10087178, Example 29
Type:
Small organic molecule
Emp. Form.:
C22H22ClFKN3O5
Mol. Mass.:
501.977
SMILES:
COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[K])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(10.06,-10.66,;8.72,-11.43,;7.39,-10.66,;7.39,-9.12,;8.48,-8.03,;7.39,-6.94,;6.3,-8.03,;8.72,-6.17,;8.72,-4.63,;10.06,-3.86,;7.39,-3.86,;7.39,-2.32,;6.05,-4.63,;4.72,-3.86,;4.72,-2.32,;3.39,-1.55,;3.39,-4.63,;2.05,-3.86,;3.39,-6.17,;4.72,-6.94,;6.05,-6.17,;2.05,-6.94,;2.05,-8.48,;.72,-6.17,;-.61,-6.94,;-1.95,-6.17,;-1.95,-4.63,;-3.28,-3.86,;-4.61,-4.63,;-4.61,-6.17,;-5.95,-6.94,;-3.28,-6.94,;-3.28,-8.48,)|
Structure:
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