Target
Gag-Pol polyprotein [1148-1435]
Ligand
BDBM27752
Substrate
DIG-tagged Target DNA
Meas. Tech.
DNA Strand-Transfer Activity Assay
pH
7.3±n/a
Temperature
295.15±n/a K
IC50
265±n/a nM
Citation
 Metobo, SMish, MJin, HJabri, SLansdown, RChen, XTsiang, MWright, MKim, CU Tricyclic HIV integrase inhibitors: VI. SAR studies of 'benzyl flipped' C3-substituted pyrroloquinolines. Bioorg Med Chem Lett 19:1187-90 (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:
BDBM27752
Synonyms:
N-{3-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H,7H,8H-pyrrolo[3,4-g]quinolin-5-yl}-N-methylmethanesulfonamide | tricyclic pyrroloquinoline, 21
Type:
Small organic molecule
Emp. Form.:
C21H19ClFN3O4S
Mol. Mass.:
463.91
SMILES:
CN(c1c2CN(C)C(=O)c2c(O)c2ncc(Cc3ccc(F)c(Cl)c3)cc12)S(C)(=O)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
DIG-tagged Target DNA
Synonyms:
digoxin-tagged DNA
Type:
Duplex DNA
Mol. Mass.:
1978.21
Organism:
n/a
Description:
The biotinylated donor DNA was bound to streptavidin-coated plates.
Residue:
23
Sequence:
TGACCAAGGGCTAATTCACTDIG