Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288112
Substrate
n/a
Meas. Tech.
Measurement of Antiviral (HIV-1) Activity
Temperature
298.15±n/a K
EC50
1.10±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:
BDBM288112
Synonyms:
US10087178, Example 30
Type:
Small organic molecule
Emp. Form.:
C44H44CaCl2F2N6O10
Mol. Mass.:
965.835
SMILES:
COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[Ca]Oc3c4C(=O)N(C)C[C@]5(C[C@H](COC)C5)n4cc(C(=O)NCc4cccc(Cl)c4F)c3=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:24.31,3.2,wD:26.27,5.5,(7.39,2.15,;6.05,2.92,;4.72,2.15,;4.72,.61,;5.81,-.48,;4.72,-1.56,;3.63,-.48,;6.05,-2.33,;6.05,-3.87,;7.39,-4.64,;4.72,-4.64,;4.72,-6.18,;3.39,-3.87,;2.05,-4.64,;2.05,-6.18,;3.39,-6.95,;4.72,-7.72,;4.72,-9.26,;6.05,-10.03,;7.39,-9.26,;7.39,-7.72,;8.72,-10.03,;10.06,-9.26,;8.72,-11.57,;7.39,-12.34,;8.48,-13.43,;7.39,-14.52,;7.39,-16.06,;8.72,-16.83,;10.06,-16.06,;6.3,-13.43,;6.05,-11.57,;4.72,-12.34,;3.39,-11.57,;2.05,-12.34,;2.05,-13.88,;.72,-11.57,;-.61,-12.34,;-1.95,-11.57,;-1.95,-10.03,;-3.28,-9.26,;-4.61,-10.03,;-4.61,-11.57,;-5.95,-12.34,;-3.28,-12.34,;-3.28,-13.88,;3.39,-10.03,;2.05,-9.26,;.72,-3.87,;-.61,-4.64,;.72,-2.33,;2.05,-1.56,;3.39,-2.33,;-.61,-1.56,;-.61,-.02,;-1.95,-2.33,;-3.28,-1.56,;-4.61,-2.33,;-4.61,-3.87,;-5.95,-4.64,;-7.28,-3.87,;-7.28,-2.33,;-8.62,-1.56,;-5.95,-1.56,;-5.95,-.02,)|
Structure:
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