Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288127
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
0.700±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:
HIV-1
Description:
P03406
Residue:
206
Sequence:
MGGKWSKSSVVGWPTVRERMRRAEPAADGVGAASRDLEKHGAITSSNTAATNAACAWLEAQEEEEVGFPVTPQVPLRPMTYKAAVDLSHFLKEKGGLEGLIHSQRRQDILDLWIYHTQGYFPDWQNYTPGPGVRYPLTFGWCYKLVPVEPDKVEEANKGENTSLLHPVSLHGMDDPEREVLEWRFDSRLAFHHVARELHPEYFKNC
  
Inhibitor
Name:
BDBM288127
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 isobutyrate | US10087178, Example S68
Type:
Small organic molecule
Emp. Form.:
C26H29ClFN3O6
Mol. Mass.:
533.976
SMILES:
COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(8,-5.32,;6.67,-6.09,;5.33,-5.32,;5.33,-3.78,;6.42,-2.7,;5.33,-1.61,;4.25,-2.7,;6.67,-.84,;6.67,.7,;8,1.47,;5.33,1.47,;5.33,3.01,;4,.7,;2.67,1.47,;2.67,3.01,;1.33,3.78,;,3.01,;1.33,5.32,;,6.09,;2.67,6.09,;1.33,.7,;,1.47,;1.33,-.84,;2.67,-1.61,;4,-.84,;,-1.61,;,-3.15,;-1.33,-.84,;-2.67,-1.61,;-4,-.84,;-4,.7,;-5.33,1.47,;-6.67,.7,;-6.67,-.84,;-8,-1.61,;-5.33,-1.61,;-5.33,-3.15,)|
Structure:
Search PDB for entries with ligand similarity: