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Target
Gag-Pol polyprotein [1148-1435]
Ligand
BDBM28257
Substrate
[3H]Target DNA
Meas. Tech.
HIV Integrase Strand Transfer Scintillation Proximity Assay (SPA)
pH
7.2±n/a
Temperature
310.15±n/a K
IC50
6±n/a nM
Citation
 Johns, BA; Weatherhead, JG; Allen, SH; Thompson, JB; Garvey, EP; Foster, SA; Jeffrey, JL; Miller, WH 1,3,4-Oxadiazole substituted naphthyridines as HIV-1 integrase inhibitors. Part 2: SAR of the C5 position. Bioorg Med Chem Lett 19:1807-10 (2009) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [1148-1435]
Synonyms:
HIV-1 Integrase | POL_HV1H2 | gag-pol
Type:
Enzyme
Mol. Mass.:
32171.42
Organism:
Human immunodeficiency virus type 1
Description:
The sequence encoding the 288-amino-acid wild-type full-length integrase was cloned with an N-terminal 6His tag, and expressed in E. coli.
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTGATVRAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRNPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM28257
Synonyms:
1,3,4-oxadiazole substituted naphthyridine, 24 | 2-(7-{5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)-6-methyl-1,2,6-thiadiazinane-1,1-dione
Type:
Small organic molecule
Emp. Form.:
C21H19FN6O4S
Mol. Mass.:
470.477
SMILES:
CN1CCCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)S1(=O)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
[3H]Target DNA
Synonyms:
n/a
Type:
Duplex DNA
Mol. Mass.:
2689.01
Organism:
n/a
Description:
n/a
Residue:
34
Sequence:
AAAAAAATGACCAAGGGCTAATTCACTAAAAAAA