Target
Protein Nef
Ligand
BDBM288105
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
1.60±n/a nM
Comments
extracted
Citation
 Miyazaki, SIsoshima, HOshita, KKawashita, SNagahashi, NTerashita, 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:
BDBM288105
Synonyms:
Production of N-(3-chloro-2-fluorobenzyl)-9′-hydroxy-cis-3-methoxy-2′-methyl-1′,8′-dioxo-1′,2′,3′,8′-tetrahydrospiro[cyclobutane-1,4′-pyrido[, 2-a]pyrazine]-7′-carboxamide | US10087178, Example 23
Type:
Small organic molecule
Emp. Form.:
C28H27ClFN3O5
Mol. Mass.:
539.982
SMILES:
CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OCc3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:4.4,wD:2.1,(4.61,-.64,;3.28,.13,;3.28,1.67,;4.37,2.75,;3.28,3.84,;2.19,2.75,;4.61,4.61,;4.61,6.15,;5.95,6.92,;3.28,6.92,;3.28,8.46,;1.95,6.15,;.61,6.92,;.61,8.46,;-.72,9.23,;-.72,10.77,;-2.05,11.54,;-2.05,13.08,;-.72,13.85,;.61,13.08,;.61,11.54,;-.72,6.15,;-2.05,6.92,;-.72,4.61,;.61,3.84,;1.95,4.61,;-2.05,3.84,;-2.05,2.3,;-3.39,4.61,;-4.72,3.84,;-6.05,4.61,;-6.05,6.15,;-7.39,6.92,;-8.72,6.15,;-8.72,4.61,;-10.06,3.84,;-7.39,3.84,;-7.39,2.3,)|
Structure:
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