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Target
Gag-Pol polyprotein
Ligand
BDBM22668
Substrate
Biotinylated Target DNA
Meas. Tech.
Microtiter Plate Assay for Strand Transfer
pH
7.8±n/a
Temperature
310.15±n/a K
IC50
550±n/a nM
Citation
Muraglia, E; Kinzel, O; Gardelli, C; Crescenzi, B; Donghi, M; Ferrara, M; Nizi, E; Orvieto, F; Pescatore, G; Laufer, R; Gonzalez-Paz, O; Di Marco, A; Fiore, F; Monteagudo, E; Fonsi, M; Felock, PJ; Rowley, M; Summa, V Design and synthesis of bicyclic pyrimidinones as potent and orally bioavailable HIV-1 integrase inhibitors. J Med Chem 51:861-74 (2008) [PubMed] Article
More Info.:
Target
Name:
Gag-Pol polyprotein
Synonyms:
HIV-1 reverse transcriptase (HIV-1 RT) | Integrase | POL_HV1H2 | Pr160Gag-Pol | Protease | Reverse transcriptase (HIV-1 RT) | Reverse transcriptase (RT) | Ribonuclease H (RNase H) | gag-pol | p51 RT | p66 RT
Type:
Protein
Mol. Mass.:
162074.74
Organism:
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)
Description:
P04585
Residue:
1435
Sequence:
MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGLLETSEGCRQILGQLQPSLQTGSEELRSLYNTVATLYCVHQRIEIKDTKEALDKIEEEQNKSKKKAQQAAADTGHSNQVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRVHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTNNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTACQGVGGPGHKARVLAEAMSQVTNSATIMMQRGNFRNQRKIVKCFNCGKEGHTARNCRAPRKKGCWKCGKEGHQMKDCTERQANFLREDLAFLQGKAREFSSEQTRANSPTRRELQVWGRDNNSPSEAGADRQGTVSFNFPQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVLFLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTGATVRAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRNPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
Inhibitor
Name:
BDBM22668
Synonyms:
10-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-4H,6H,7H,8H,9H,10H-pyrimido[1,2-a]azepine-2-carboxamide | Bicyclic pyrimidinone, 7c
Type:
Small organic molecule
Emp. Form.:
C19H23FN4O3
Mol. Mass.:
374.4093
SMILES:
CN(C)C1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
Substrate
Name:
Biotinylated Target DNA
Synonyms:
3-biotinylated-poly d(GT)10/poly d(CA)10
Type:
Duplex DNA
Mol. Mass.:
358.43
Organism:
n/a
Description:
The synthesized HIV long terminal repeat (LTR) sequence ligonucleotides (~30 bp) as the donor substrates were immobilized on microtiter plates in strand transfer assay.
Residue:
3
Sequence:
NA