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Target
Gag-Pol polyprotein [1148-1435]
Ligand
BDBM28276
Substrate
[3H]Target DNA
Meas. Tech.
HIV Integrase Strand Transfer Scintillation Proximity Assay (SPA)
IC50
4±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:
BDBM28276
Synonyms:
1,3,4-oxadiazole substituted naphthyridine, 44 | 4-(7-{5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)-N-methylbenzamide
Type:
Small organic molecule
Emp. Form.:
C25H18FN5O3
Mol. Mass.:
455.4405
SMILES:
CNC(=O)c1ccc(cc1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
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