Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288118
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
2.60±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:
BDBM288118
Synonyms:
Production of Monopotassium 7′-(3-chloro-2-fluorobenzylcarbamoyl)-2′-ethyl-trans-3-methoxy-1′,8′-dioxo-1′,2′,4′,8′-tetrahydrospiro[cyclobutane-1,3′-pyrido[1,2-a]pyrazin]-9′-olate | US10087178, Example 36
Type:
Small organic molecule
Emp. Form.:
C22H22ClFKN3O5
Mol. Mass.:
501.977
SMILES:
CCN1C(=O)c2c(O[K])c(=O)c(cn2C[C@@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F |r,wU:15.20,wD:17.21,(9.39,-5.52,;8.05,-4.75,;6.72,-5.52,;5.39,-4.75,;5.39,-3.21,;4.05,-5.52,;2.72,-4.75,;2.72,-3.21,;1.39,-2.44,;1.39,-5.52,;.05,-4.75,;1.39,-7.06,;2.72,-7.83,;4.05,-7.06,;5.39,-7.83,;6.72,-7.06,;8.21,-6.67,;8.61,-8.15,;7.12,-8.55,;9.94,-8.92,;9.94,-10.46,;.05,-7.83,;.05,-9.37,;-1.28,-7.06,;-2.62,-7.83,;-3.95,-7.06,;-3.95,-5.52,;-5.28,-4.75,;-6.62,-5.52,;-6.62,-7.06,;-7.95,-7.83,;-5.28,-7.83,;-5.28,-9.37,)|
Structure:
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