Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288116
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
3.20±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:
BDBM288116
Synonyms:
Production of N-(3-chloro-2-fluorobenzyl)-2′-ethyl-9′-hydroxy-trans-3-methoxy-1′,8′-dioxo-1′,2′,4′,8′-tetrahydrospiro[cyclobutane-1,3′-pyrido[1,2-a]pyrazine]-7′-carboxamide | US10087178, Example 34
Type:
Small organic molecule
Emp. Form.:
C22H23ClFN3O5
Mol. Mass.:
463.887
SMILES:
CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F |r,wU:14.19,wD:16.20,(6.91,8.67,;5.57,9.44,;4.24,8.67,;2.91,9.44,;2.91,10.98,;1.57,8.67,;.24,9.44,;.24,10.98,;-1.09,8.67,;-2.43,9.44,;-1.09,7.13,;.24,6.36,;1.57,7.13,;2.91,6.36,;4.24,7.13,;5.73,7.53,;6.13,6.04,;4.64,5.64,;7.46,5.27,;7.46,3.73,;-2.43,6.36,;-2.43,4.82,;-3.76,7.13,;-5.1,6.36,;-6.43,7.13,;-6.43,8.67,;-7.76,9.44,;-9.1,8.67,;-9.1,7.13,;-10.43,6.36,;-7.76,6.36,;-7.76,4.82,)|
Structure:
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