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Target
Gag-Pol polyprotein [588-1027,Y769I]/[588-1147,Y769I]
Ligand
BDBM27582
Substrate
poly(rA)/oligo(dT)
Meas. Tech.
Reverse Transcriptase Assay
pH
7.5±n/a
Temperature
310.15±n/a K
Ki
<10000±n/a nM
Citation
 Butini, S; Brindisi, M; Cosconati, S; Marinelli, L; Borrelli, G; Coccone, SS; Ramunno, A; Campiani, G; Novellino, E; Zanoli, S; Samuele, A; Giorgi, G; Bergamini, A; Mattia, MD; Lalli, S; Galletti, B; Gemma, S; Maga, G Specific Targeting of Highly Conserved Residues in the HIV-1 Reverse Transcriptase Primer Grip Region. 2. Stereoselective Interaction to Overcome the Effects of Drug Resistant Mutations. J Med Chem 52:1224-8 (2009) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [588-1027,Y769I]/[588-1147,Y769I]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (Y181I)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [588-1147,Y769I]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (Y181I) Chain A | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
64436.39
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1147,Y769I]
Residue:
560
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIIQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVL
  
Component 2
Name:
Gag-Pol polyprotein [588-1027,Y769I]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (Y181I) Chain B | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
51287.11
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1027,Y769I]
Residue:
440
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIIQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETF
  
Inhibitor
Name:
BDBM27582
Synonyms:
8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaen-7-one | Pyrrolopyridooxazepinone (PPO), 7
Type:
Small organic molecule
Emp. Form.:
C26H21ClN2O3
Mol. Mass.:
444.91
SMILES:
CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
poly(rA)/oligo(dT)
Synonyms:
n/a
Type:
RNA/DNA duplex
Mol. Mass.:
358.43
Organism:
n/a
Description:
[3H]-dTTP is co-substrate.
Residue:
3
Sequence:
NA