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Target
Gag-Pol polyprotein
Ligand
BDBM22617
Substrate
Biotinylated Target DNA
Meas. Tech.
Microtiter Plate Assay for Strand Transfer
pH
7.8±n/a
Temperature
310.15±n/a K
IC50
100±n/a nM
Citation
 Gardelli, C; Nizi, E; Muraglia, E; Crescenzi, B; Ferrara, M; Orvieto, F; Pace, P; Pescatore, G; Poma, M; Ferreira Mdel, R; Scarpelli, R; Homnick, CF; Ikemoto, N; Alfieri, A; Verdirame, M; Bonelli, F; Paz, OG; Taliani, M; Monteagudo, E; Pesci, S; Laufer, R; Felock, P; Stillmock, KA; Hazuda, D; Rowley, M; Summa, V Discovery and synthesis of HIV integrase inhibitors: development of potent and orally bioavailable N-methyl pyrimidones. J Med Chem 50:4953-75 (2007) [PubMed]  Article 
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:
BDBM22617
Synonyms:
N-Me-pyrimidone deriv., 16 | N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Type:
Small organic molecule
Emp. Form.:
C18H21FN4O4
Mol. Mass.:
376.3821
SMILES:
CN1C[C@H](O)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r|
Structure:
Search PDB for entries with ligand similarity:
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