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Target
Gag-Pol polyprotein [1148-1435]
Ligand
BDBM23405
Substrate
DIG-tagged Target DNA
Meas. Tech.
Integrase 3-End Joining Assay
pH
7.3±n/a
Temperature
295.15±n/a K
IC50
24000±4000 nM
Citation
 Chen, X; Tsiang, M; Yu, F; Hung, M; Jones, GS; Zeynalzadegan, A; Qi, X; Jin, H; Kim, CU; Swaminathan, S; Chen, JM Modeling, analysis, and validation of a novel HIV integrase structure provide insights into the binding modes of potent integrase inhibitors. J Mol Biol 380:504-19 (2008) [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:
BDBM23405
Synonyms:
7-[(4-fluorophenyl)methyl]-5-methoxy-6H,7H,8H-pyrrolo[3,4-g]quinolin-8-one | GS-327555
Type:
Small organic molecule
Emp. Form.:
C19H15FN2O2
Mol. Mass.:
322.333
SMILES:
COc1c2CN(Cc3ccc(F)cc3)C(=O)c2cc2ncccc12
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