Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S]
Ligand
BDBM16189
Substrate
poly(rA).oligo(dT)12-18
Meas. Tech.
HIV-1 RT Assay
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
3500±800 nM
Citation
 Herschhorn, A; Lerman, L; Weitman, M; Gleenberg, IO; Nudelman, A; Hizi, A De Novo Parallel Design, Synthesis and Evaluation of Inhibitors against the Reverse Transcriptase of Human Immunodeficiency Virus Type-1 and Drug-Resi J Med Chem 50:2370-84 (2007) [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:
BDBM16189
Synonyms:
4-(3-Iodophenyl)-3-oxobutanenitrile | beta-ketonitrile 5f
Type:
Small organic molecule
Emp. Form.:
C10H8INO
Mol. Mass.:
285.0811
SMILES:
Ic1cccc(CC(=O)CC#N)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
poly(rA).oligo(dT)12-18
Synonyms:
n/a
Type:
RNA/DNA duplex
Mol. Mass.:
358.43
Organism:
n/a
Description:
The incorporation of [3H]dTTP into poly(rA).oligo(dT)12-18 template-primer.
Residue:
3
Sequence:
NA