Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288113
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
0.900±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:
BDBM288113
Synonyms:
Production of N-(3-chloro-2-fluorobenzyl)-9′-hydroxy-cis-3-(methoxymethyl)-2′-methyl-1′,8′-dioxo-1′,2′,3′,8′-tetrahydrospiro[cyclobutane-1,4′-pyrido[1,2-a]pyrazine]-7′-carboxamide hydrobromide | US10087178, Example 31 | US10087178, Example 32
Type:
Small organic molecule
Emp. Form.:
C22H23ClFN3O5
Mol. Mass.:
463.887
SMILES:
COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(10.06,-10.56,;8.72,-11.33,;7.39,-10.56,;7.39,-9.02,;8.48,-7.93,;7.39,-6.84,;6.3,-7.93,;8.72,-6.07,;8.72,-4.53,;10.06,-3.76,;7.39,-3.76,;7.39,-2.22,;6.05,-4.53,;4.72,-3.76,;4.72,-2.22,;3.39,-4.53,;2.05,-3.76,;3.39,-6.07,;4.72,-6.84,;6.05,-6.07,;2.05,-6.84,;2.05,-8.38,;.72,-6.07,;-.61,-6.84,;-1.95,-6.07,;-1.95,-4.53,;-3.28,-3.76,;-4.61,-4.53,;-4.61,-6.07,;-5.95,-6.84,;-3.28,-6.84,;-3.28,-8.38,)|
Structure:
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