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Target
Gag-Pol polyprotein [588-1027]/[588-1147]
Ligand
BDBM2872
Substrate
(poly)rA:(oligo)dT(12-18)
Meas. Tech.
HIV-1 RT Assay
pH
8.2±n/a
Temperature
310.15±n/a K
IC50
74±27 nM
Citation
 Corbett, JW; Ko, SS; Rodgers, JD; Gearhart, LA; Magnus, NA; Bacheler, LT; Diamond, S; Jeffrey, S; Klabe, RM; Cordova, BC; Garber, S; Logue, K; Trainor, GL; Anderson, PS; Erickson-Viitanen, SK Inhibition of clinically relevant mutant variants of HIV-1 by quinazolinone non-nucleoside reverse transcriptase inhibitors. J Med Chem 43:2019-30 (2000) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [588-1027]/[588-1147]
Synonyms:
EC: 2.7.7.49 | HIV-1 Reverse Transcriptase
Type:
Protein Complex
Mol. Mass.:
115684
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [588-1147]
Synonyms:
HIV-1 Reverse Transcriptase Chain A | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
64486.41
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1147]
Residue:
560
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVL
  
Component 2
Name:
Gag-Pol polyprotein [588-1027]
Synonyms:
HIV-1 Reverse Transcriptase Chain B | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
51337.13
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1027]
Residue:
440
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETF
  
Inhibitor
Name:
BDBM2872
Synonyms:
4-(1-Butyn-1-yl)-5,6-difuloro-3,4-dihydro-4-(trifluoromethyl)-2(1H)-quinazolinone | 4-(but-1-yn-1-yl)-5,6-difluoro-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-2-one | Trifluromethylquinazolinone deriv. 25
Type:
Small organic molecule
Emp. Form.:
C13H9F5N2O
Mol. Mass.:
304.2154
SMILES:
CCC#CC1(NC(=O)Nc2ccc(F)c(F)c12)C(F)(F)F
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 radiolabeled dTTP onto a (poly)rA:(oligo)dT(12-18) template:primer
Residue:
3
Sequence:
NA