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Target
Gag-Pol polyprotein [588-1027]/[588-1147]
Ligand
BDBM2916
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
95±n/a nM
Citation
 Cocuzza, AJ; Chidester, DR; Cordova, BC; Klabe, RM; Jeffrey, S; Diamond, S; Weigelt, CA; Ko, SS; Bacheler, LT; Erickson-Viitanen, SK; Rodgers, JD 4,1-Benzoxazepinone analogues of efavirenz (Sustiva) as HIV-1 reverse transcriptase inhibitors. Bioorg Med Chem Lett 11:1389-92 (2001) [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:
BDBM2916
Synonyms:
(3S,5S)-5-(2-cyclopropylethynyl)-7-fluoro-3-methyl-5-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-2-one | 4,1-Benzoxazepinone analogue 1n
Type:
Small organic molecule
Emp. Form.:
C16H13F4NO2
Mol. Mass.:
327.2735
SMILES:
C[C@@H]1O[C@@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F |r|
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