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Target
Gag-Pol polyprotein [1148-1435]
Ligand
BDBM23402
Substrate
DIG-tagged Target DNA
Meas. Tech.
Integrase 3-End Joining Assay
pH
7.3±n/a
Temperature
295.15±n/a K
IC50
44±4 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:
BDBM23402
Synonyms:
5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide | CHEMBL414850 | L-870,810
Type:
Small organic molecule
Emp. Form.:
C20H19FN4O4S
Mol. Mass.:
430.453
SMILES:
Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1
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