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Target
Gag-Pol polyprotein [600-1159,Y780C]/Imidazoleglycerol-phosphate dehydratase [600-1029,Y780C]
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
9900±1000 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 [600-1159,Y780C]/Imidazoleglycerol-phosphate dehydratase [600-1029,Y780C]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (Y181C)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
The mutant Y181C RT was expressed and purified on Ni-NTA column.
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [600-1159,Y780C]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (Y181C) Chain A | POL_HV1B1 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
64365.40
Organism:
Human immunodeficiency virus type 1
Description:
P03366[600-1159,Y780C]
Residue:
560
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVICQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKIL
  
Component 2
Name:
Imidazoleglycerol-phosphate dehydratase [600-1029,Y780C]
Synonyms:
HIS3 | HIS7_YEAST | HIV-1 Reverse Transcriptase Mutant (Y181C) Chain B
Type:
Enzyme Subunit
Mol. Mass.:
50161.81
Organism:
Human immunodeficiency virus type 1
Description:
P06633[600-1029,Y780C]
Residue:
430
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVICQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLE
  
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