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Target
Gag-Pol polyprotein [1148-1435]
Ligand
BDBM28228
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
6300±n/a nM
Citation
 Johns, BA; Weatherhead, JG; Allen, SH; Thompson, JB; Garvey, EP; Foster, SA; Jeffrey, JL; Miller, WH The use of oxadiazole and triazole substituted naphthyridines as HIV-1 integrase inhibitors. Part 1: Establishing the pharmacophore. Bioorg Med Chem Lett 19:1802-6 (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:
BDBM28228
Synonyms:
7-{5-[(3,4-dimethoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}-1,6-naphthyridin-8-ol | triazole substituted naphthyridine, 12f
Type:
Small organic molecule
Emp. Form.:
C19H17N5O3
Mol. Mass.:
363.37
SMILES:
COc1ccc(Cc2nnc([nH]2)-c2ncc3cccnc3c2O)cc1OC
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