Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S]
Ligand
BDBM33045
Substrate
RNA/DNA hybrid
Meas. Tech.
FRET-Based RNase H Assay
pH
8±n/a
Temperature
293.15±n/a K
IC50
2000±n/a nM
Citation
 Wendeler, M; Lee, HF; Bermingham, A; Miller, JT; Chertov, O; Bona, MK; Baichoo, NS; Ehteshami, M; Beutler, J; O'Keefe, BR; Götte, M; Kvaratskhelia, M; Le Grice, S Vinylogous ureas as a novel class of inhibitors of reverse transcriptase-associated ribonuclease H activity. ACS Chem Biol 3:635-44 (2008) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S]
Synonyms:
HIV-1 Reverse Transcriptase
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
Wild-type p66/p51 HIV-1 RT, derived from BH-10 clone of HIV-1, was expressed in bacteria.
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [600-1159,C879S]
Synonyms:
HIV-1 Reverse Transcriptase Chain A | POL_HV1B1 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
64425.43
Organism:
Human immunodeficiency virus type 1
Description:
P03366[600-1159,C879S]
Residue:
560
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKIL
  
Component 2
Name:
Gag-Pol polyprotein [600-1029,C879S]
Synonyms:
HIV-1 Reverse Transcriptase Chain B | POL_HV1B1 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
50221.85
Organism:
Human immunodeficiency virus type 1
Description:
P03366[600-1029,C879S]
Residue:
430
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLE
  
Inhibitor
Name:
BDBM33045
Synonyms:
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide | 2-azanyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide | MLS000056922 | SMR000066289 | cid_2997881 | vinylogous urea, NSC727447
Type:
Small organic molecule
Emp. Form.:
C10H14N2OS
Mol. Mass.:
210.296
SMILES:
NC(=O)c1c(N)sc2CCCCCc12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
RNA/DNA hybrid
Synonyms:
n/a
Type:
fluorescein-labeled RNA annealed to DNA
Mol. Mass.:
2134.40
Organism:
n/a
Description:
It is a 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-Dabcyl-modified DNA.
Residue:
23
Sequence:
GACGAGCCGGGAGCFLRESCEIN