Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N]
Ligand
BDBM27579
Substrate
poly r(A).oligo d(T)16
Meas. Tech.
Reverse Transcriptase Assay
pH
7.8±n/a
Temperature
310.15±n/a K
IC50
68±60 nM
Citation
 Jones, LH; Allan, G; Barba, O; Burt, C; Corbau, R; Dupont, T; Knöchel, T; Irving, S; Middleton, DS; Mowbray, CE; Perros, M; Ringrose, H; Swain, NA; Webster, R; Westby, M; Phillips, C Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays (dagger). J Med Chem 52:1219-23 (2009) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (K103N)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [588-1147,K690N]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (K103N) Chain A | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
64471.33
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1147,K690N]
Residue:
560
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKNKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVL
  
Component 2
Name:
Gag-Pol polyprotein [588-1027,K691N]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (K103N) Chain B | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
51322.05
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1027,K691N]
Residue:
440
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKNKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETF
  
Inhibitor
Name:
BDBM27579
Synonyms:
AG 1549 | CPV | Capravirine | {5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl}methyl carbamate
Type:
Small organic molecule
Emp. Form.:
C20H20Cl2N4O2S
Mol. Mass.:
451.369
SMILES:
CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
poly r(A).oligo d(T)16
Synonyms:
n/a
Type:
RNA/DNA duplex
Mol. Mass.:
358.43
Organism:
n/a
Description:
Tritium-labeled TTP is co-substrate.
Residue:
3
Sequence:
NA