Reaction Details Report a problem with these data
Target
Protein Nef
Ligand
BDBM288060
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:
BDBM288060
Synonyms:
N-(2,4-difluorobenzyl)-2'- ethyl-9'-hydroxy-cis-3- methoxy-1',8'-dioxo- 1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazine]- 7'-carboxamide hydrochloride | US10087178, Example S20
Type:
Small organic molecule
Emp. Form.:
C22H23F2N3O5
Mol. Mass.:
447.4319
SMILES:
CCN1C[C@]2(C[C@@H](C2)OC)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:4.7,wD:6.8,(8.67,2.24,;7.34,3.01,;6,2.24,;6,.7,;4.67,-.07,;5.76,-1.15,;4.67,-2.24,;3.58,-1.15,;4.67,-3.78,;6,-4.55,;3.33,.7,;2,-.07,;.67,.7,;-.67,-.07,;-.67,-1.61,;-2,.7,;-3.33,-.07,;-4.67,.7,;-4.67,2.24,;-6,3.01,;-7.34,2.24,;-8.67,3.01,;-7.34,.7,;-6,-.07,;-6,-1.61,;.67,2.24,;-.67,3.01,;2,3.01,;2,4.55,;3.33,2.24,;4.67,3.01,;4.67,4.55,)|
Structure:
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