Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288054
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
3.90±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:
BDBM288054
Synonyms:
N-(2,4-difluorobenzyl)-9'- hydroxy-cis-3-methoxy-2'- methyl-1',8'-dioxo- 1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazine]- 7'-carboxamide hydrochloride | US10087178, Example S14
Type:
Small organic molecule
Emp. Form.:
C21H21F2N3O5
Mol. Mass.:
433.4053
SMILES:
CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:4.4,wD:2.1,(6.67,-4.55,;5.33,-3.78,;5.33,-2.24,;6.42,-1.15,;5.33,-.07,;4.25,-1.15,;6.67,.7,;6.67,2.24,;8,3.01,;5.33,3.01,;5.33,4.55,;4,2.24,;2.67,3.01,;2.67,4.55,;1.33,2.24,;,3.01,;1.33,.7,;2.67,-.07,;4,.7,;,-.07,;,-1.61,;-1.33,.7,;-2.67,-.07,;-4,.7,;-4,2.24,;-5.33,3.01,;-6.67,2.24,;-8,3.01,;-6.67,.7,;-5.33,-.07,;-5.33,-1.61,)|
Structure:
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