Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288076
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
15.0±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:
BDBM288076
Synonyms:
N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-trans-3- (hydroxymethyl)-2'-methyl- 1',8'-dioxo-1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazine]- 7'-carboxamide | US10087178, Example S36
Type:
Small organic molecule
Emp. Form.:
C21H21ClFN3O5
Mol. Mass.:
449.86
SMILES:
CN1C[C@@]2(C[C@H](CO)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O |r,wU:3.3,5.5,(8,3.01,;6.67,2.24,;6.67,.7,;5.33,-.07,;4.25,-1.16,;5.33,-2.24,;5.33,-3.78,;6.67,-4.55,;6.42,-1.16,;4,.7,;2.67,-.07,;1.33,.7,;,-.07,;,-1.61,;-1.33,.7,;-2.67,-.07,;-4,.7,;-4,2.24,;-5.33,3.01,;-6.67,2.24,;-6.67,.7,;-8,-.07,;-5.33,-.07,;-5.33,-1.61,;1.33,2.24,;,3.01,;2.67,3.01,;2.67,4.55,;4,2.24,;5.33,3.01,;5.33,4.55,)|
Structure:
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