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Target
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S]
Ligand
BDBM17677
Substrate
poly(rC)-oligo(dG)
Meas. Tech.
HIV-1 RT Enzyme Assay
pH
8±n/a
Temperature
310.15±n/a K
IC50
40000±n/a nM
Citation
 Morningstar, ML; Roth, T; Farnsworth, DW; Smith, MK; Watson, K; Buckheit, RW; Das, K; Zhang, W; Arnold, E; Julias, JG; Hughes, SH; Michejda, CJ Synthesis, Biological Activity, and Crystal Structure of Potent Nonnucleoside Inhibitors of HIV-1 Reverse Transcriptase That Retain Activity against Mutant Forms of the Enzyme. J Med Chem 50:4003-4015 (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:
BDBM17677
Synonyms:
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-1H-1,3-benzodiazol-4-amine | benzimidazole analogue, 59
Type:
Small organic molecule
Emp. Form.:
C22H17F4N3
Mol. Mass.:
399.3841
SMILES:
CN(C)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;2.54,5.49,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
poly(rC)-oligo(dG)
Synonyms:
n/a
Type:
RNA-DNA duplex
Mol. Mass.:
358.43
Organism:
n/a
Description:
The incorporation of Tritium-labeled [3H]dGTP onto a (poly)rC:(oligo)dG template:primer.
Residue:
3
Sequence:
NA