Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288109
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
1.50±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:
BDBM288109
Synonyms:
Production of N-(3-chloro-2-fluorobenzyl)-9′-hydroxy-trans-3-(methoxymethyl)-2′-methyl-1′,8′-dioxo-1′,2′,3′,8′-tetrahydrospiro[cyclobutane-1,4′-pyrido[1,2-a]pyrazine]-7′-carboxamide | US10087178, Example 27
Type:
Small organic molecule
Emp. Form.:
C29H29ClFN3O5
Mol. Mass.:
554.009
SMILES:
COC[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(OCc3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.4,3.2,(5.95,-.22,;4.61,-.99,;3.28,-.22,;3.28,1.32,;2.19,2.41,;3.28,3.5,;4.37,2.41,;4.61,4.27,;4.61,5.81,;5.95,6.58,;3.28,6.58,;3.28,8.12,;1.95,5.81,;.61,6.58,;.61,8.12,;-.72,8.89,;-.72,10.43,;-2.05,11.2,;-2.05,12.74,;-.72,13.51,;.61,12.74,;.61,11.2,;-.72,5.81,;-2.05,6.58,;-.72,4.27,;.61,3.5,;1.95,4.27,;-2.05,3.5,;-2.05,1.96,;-3.39,4.27,;-4.72,3.5,;-6.05,4.27,;-6.05,5.81,;-7.39,6.58,;-8.72,5.81,;-8.72,4.27,;-10.06,3.5,;-7.39,3.5,;-7.39,1.96,)|
Structure:
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