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Target
Gag-Pol polyprotein
Ligand
BDBM25342
Substrate
Biotinylated Target DNA
Meas. Tech.
Microtiter Plate Assay for Strand Transfer
pH
7.8±n/a
Temperature
310.15±n/a K
IC50
21±n/a nM
Citation
 Summa, V; Petrocchi, A; Bonelli, F; Crescenzi, B; Donghi, M; Ferrara, M; Fiore, F; Gardelli, C; Gonzalez Paz, O; Hazuda, DJ; Jones, P; Kinzel, O; Laufer, R; Monteagudo, E; Muraglia, E; Nizi, E; Orvieto, F; Pace, P; Pescatore, G; Scarpelli, R; Stillmock, K; Witmer, MV; Rowley, M Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection. J Med Chem 51:5843-55 (2008) [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:
BDBM25342
Synonyms:
N-methyl-pyrimidinone derivative, 18
Type:
Small organic molecule
Emp. Form.:
C22H29N5O7
Mol. Mass.:
475.495
SMILES:
COc1cccc(CNC(=O)c2nc(n(C)c(=O)c2O)C(C)(C)NC(=O)C(=O)N(C)C)c1OC
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