Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288122
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
1.000±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:
BDBM288122
Synonyms:
US10087178, Example 40
Type:
Small organic molecule
Emp. Form.:
C30H26ClFN3O8
Mol. Mass.:
610.995
SMILES:
COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)c3cccc(c3)C([O-])=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(10.06,-18.27,;8.72,-19.04,;7.39,-18.27,;7.39,-16.73,;8.48,-15.65,;7.39,-14.56,;6.3,-15.65,;8.72,-13.79,;8.72,-12.25,;10.06,-11.48,;7.39,-11.48,;7.39,-9.94,;6.05,-12.25,;4.72,-11.48,;4.72,-9.94,;3.39,-9.17,;2.05,-9.94,;3.39,-7.63,;4.72,-6.86,;4.72,-5.32,;3.39,-4.55,;2.05,-5.32,;2.05,-6.86,;.72,-4.55,;-.61,-5.32,;.72,-3.01,;3.39,-12.25,;2.05,-11.48,;3.39,-13.79,;4.72,-14.56,;6.05,-13.79,;2.05,-14.56,;2.05,-16.1,;.72,-13.79,;-.61,-14.56,;-1.95,-13.79,;-1.95,-12.25,;-3.28,-11.48,;-4.61,-12.25,;-4.61,-13.79,;-5.95,-14.56,;-3.28,-14.56,;-3.28,-16.1,)|
Structure:
Search PDB for entries with ligand similarity: