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Target
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]
Ligand
BDBM1868
Substrate
(poly)rC:(oligo)dG
Meas. Tech.
HIV-1 RT Assay
pH
8.2±n/a
IC50
39500±n/a nM
Citation
 Williams, TM; Ciccarone, TM; MacTough, SC; Rooney, CS; Balani, SK; Condra, JH; Emini, EA; Goldman, ME; Greenlee, WJ; Kauffman, LR 5-chloro-3-(phenylsulfonyl)indole-2-carboxamide: a novel, non-nucleoside inhibitor of HIV-1 reverse transcriptase. J Med Chem 36:1291-4 (1993) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]
Synonyms:
EC: 2.7.7.49 | HIV-1 Reverse Transcriptase Mutant (Y181C)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [588-1147,Y768C]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (Y181C) Chain A | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
64426.38
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1147,Y768C]
Residue:
560
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVICQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVL
  
Component 2
Name:
Gag-Pol polyprotein [588-1127,Y768C]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (Y181C) Chain B | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
51277.10
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1127,Y768C]
Residue:
440
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVICQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETF
  
Inhibitor
Name:
BDBM1868
Synonyms:
(+)-(5S)-4,5,6,7-tetrahydro-9-chloro 5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk] [ 1,4] benzodiazepine 2(1M-thione | (11S)-6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-triazatricyclo[6.4.1.0^{4,13}]trideca-4,6,8(13)-triene-2-thione | 9-Chloro-TIBO | 9-Cl-TIBO | R82913
Type:
Small organic molecule
Emp. Form.:
C16H20ClN3S
Mol. Mass.:
321.868
SMILES:
C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S |r,wD:1.0,(.71,2.51,;-.83,2.51,;-1.5,3.9,;-3,4.24,;-4.21,3.28,;-4.21,1.74,;-3,.78,;-1.5,1.12,;-.41,.03,;1.13,.03,;2.22,-1.06,;1.82,-2.54,;3.7,-1.46,;-5.54,.97,;-6.88,1.74,;-8.21,.97,;-6.88,3.28,;-5.54,4.05,;-5.08,5.61,;-3.54,5.68,;-2.7,6.97,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
(poly)rC:(oligo)dG
Synonyms:
n/a
Type:
RNA-DNA duplex
Mol. Mass.:
358.43
Organism:
n/a
Description:
The incorporation of Tritium-labeled [3H]dGTP onto a (poly)rC:(oligo)dG template:primer.
Residue:
3
Sequence:
NA