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Target
Protein Nef
Ligand
BDBM288092
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
3.50±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:
BDBM288092
Synonyms:
N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-trans- 3-methoxy-1',8'-dioxo- 1',2',4',8'- tetrahydrospiro[cyclobutane- 1,3'-pyrido[1,2-a]pyrazine]- 7'-carboxamide hydrochloride | US10087178, Example S52
Type:
Small organic molecule
Emp. Form.:
C23H25F2N3O5
Mol. Mass.:
461.4585
SMILES:
CO[C@H]1C[C@]2(C1)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C(=O)N2C(C)C |r,wU:4.4,wD:2.1,(8.95,-3.62,;8.95,-2.08,;7.61,-1.31,;7.21,.17,;5.73,-.23,;6.12,-1.71,;4.39,-1,;3.06,-.23,;1.72,-1,;.39,-.23,;-.94,-1,;-.94,-2.54,;-2.28,-.23,;-3.61,-1,;-4.94,-.23,;-4.94,1.31,;-6.28,2.08,;-7.61,1.31,;-8.95,2.08,;-7.61,-.23,;-6.28,-1,;-6.28,-2.54,;.39,1.31,;-.94,2.08,;1.72,2.08,;1.72,3.62,;3.06,1.31,;4.39,2.08,;4.39,3.62,;5.73,1.31,;7.06,2.08,;8.39,1.31,;7.06,3.62,)|
Structure:
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