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Target
Gag-Pol polyprotein [588-1027,K691N,Y769C]/[588-1147,K691N,Y769C]
Ligand
BDBM27611
Substrate
RNA:Biotin-DNA template:primer
Meas. Tech.
HIV-1 Reverse Transcriptase Assay
pH
8±n/a
Temperature
303.15±n/a K
IC50
12±n/a nM
EC50
97±n/a nM
Citation
 Sweeney, ZK; Harris, SF; Arora, SF; Javanbakht, H; Li, Y; Fretland, J; Davidson, JP; Billedeau, JR; Gleason, SK; Hirschfeld, D; Kennedy-Smith, JJ; Mirzadegan, T; Roetz, R; Smith, M; Sperry, S; Suh, JM; Wu, J; Tsing, S; Villaseñor, AG; Paul, A; Su, G; Heilek, G; Hang, JQ; Zhou, AS; Jernelius, JA; Zhang, FJ; Klumpp, K Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase. J Med Chem 51:7449-58 (2008) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [588-1027,K691N,Y769C]/[588-1147,K691N,Y769C]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (103N/181C)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [588-1147,K691N,Y769C]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (103N/181C) Chain A | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
64411.30
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1147,K691N,Y769C]
Residue:
560
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKNKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVICQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVL
  
Component 2
Name:
Gag-Pol polyprotein [588-1027,K691N,Y769C]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (103N/181C) Chain B | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
51262.02
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1027,K691N,Y769C]
Residue:
440
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKNKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVICQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETF
  
Inhibitor
Name:
BDBM27611
Synonyms:
3-[6-bromo-2-fluoro-3-({6-methyl-7-oxo-1H,6H,7H-pyrazolo[3,4-c]pyridin-3-yl}methyl)phenoxy]-5-chlorobenzonitrile | annulated pyrazole compound, 3
Type:
Small organic molecule
Emp. Form.:
C21H13BrClFN4O2
Mol. Mass.:
487.709
SMILES:
Cn1ccc2c(Cc3ccc(Br)c(Oc4cc(Cl)cc(c4)C#N)c3F)[nH]nc2c1=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
RNA:Biotin-DNA template:primer
Synonyms:
n/a
Type:
RNA/DNA duplex
Mol. Mass.:
2957.49
Organism:
n/a
Description:
The incorporation of [3H]dATP onto a RNA:(biotin)DNA template:primer.
Residue:
38
Sequence:
GGGCCCGGAGACCACCAGCAGGGCGCCCGAACAGGGAC