Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288130
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
1.90±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:
BDBM288130
Synonyms:
7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(methoxymethyl)-2'-methyl- 1',8'-dioxo-1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazin]- 9'-yl pivalate | US10087178, Example S71
Type:
Small organic molecule
Emp. Form.:
C27H31ClFN3O6
Mol. Mass.:
548.003
SMILES:
COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(8,-5.71,;6.67,-6.48,;5.33,-5.71,;5.33,-4.17,;6.42,-3.08,;5.33,-1.99,;4.25,-3.08,;6.67,-1.22,;6.67,.32,;8,1.09,;5.33,1.09,;5.33,2.63,;4,.32,;2.67,1.09,;2.67,2.63,;1.33,3.4,;,2.63,;1.33,4.94,;,5.71,;2.67,5.71,;1.33,6.48,;1.33,.32,;,1.09,;1.33,-1.22,;2.67,-1.99,;4,-1.22,;,-1.99,;,-3.53,;-1.33,-1.22,;-2.67,-1.99,;-4,-1.22,;-4,.32,;-5.33,1.09,;-6.67,.32,;-6.67,-1.22,;-8,-1.99,;-5.33,-1.99,;-5.33,-3.53,)|
Structure:
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