Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288115
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
0.900±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:
BDBM288115
Synonyms:
Production of N-(3-chloro-2-fluorobenzyl)-9′-hydroxy-cis-3-(methoxymethyl)-2′-methyl-1′,8′-dioxo-1′,2′,3′,8′-tetrahydrospiro[cyclobutane-1,4′-pyrido[1,2-a]pyrazine]-7′-carboxamide 4-methylbenzenesulfonate | US10087178, Example 33
Type:
Small organic molecule
Emp. Form.:
C22H23ClFN3O5
Mol. Mass.:
463.887
SMILES:
COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(10.06,-13.22,;8.72,-13.99,;7.39,-13.22,;7.39,-11.68,;8.48,-10.59,;7.39,-9.5,;6.3,-10.59,;8.72,-8.73,;8.72,-7.19,;10.06,-6.42,;7.39,-6.42,;7.39,-4.88,;6.05,-7.19,;4.72,-6.42,;4.72,-4.88,;3.39,-7.19,;2.05,-6.42,;3.39,-8.73,;4.72,-9.5,;6.05,-8.73,;2.05,-9.5,;2.05,-11.04,;.72,-8.73,;-.61,-9.5,;-1.95,-8.73,;-1.95,-7.19,;-3.28,-6.42,;-4.61,-7.19,;-4.61,-8.73,;-5.95,-9.5,;-3.28,-9.5,;-3.28,-11.04,)|
Structure:
Search PDB for entries with ligand similarity: