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Target
Gag-Pol polyprotein [588-1027]/[588-1147]
Ligand
BDBM2801
Substrate
poly(rC):oligo(dG)
Meas. Tech.
HIV-1 RT Assay
IC50
2950±n/a nM
Citation
 Xu, G; Micklatcher, M; Silvestri, MA; Hartman, TL; Burrier, J; Osterling, MC; Wargo, H; Turpin, JA; Buckheit, RW; Cushman, M The biological effects of structural variation at the meta position of the aromatic rings and at the end of the alkenyl chain in the alkenyldiarylmethane series of non-nucleoside reverse transcriptase inhibitors. J Med Chem 44:4092-113 (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:
BDBM2801
Synonyms:
4-(N-Isobutyloxycarbonyl)amino-3,3-dimethyl-4,4-dimethoxy-5,5-bis(methoxycarbonyl)-1,1-diphenylbutene | Alkenyldiarylmethane (ADAM) 48a | Alkenyldiarylmethanes (ADAM) 48a | methyl 2-methoxy-5-{1-[4-methoxy-3-(methoxycarbonyl)-5-methylphenyl]-4-{[(2-methylpropoxy)carbonyl]amino}but-1-en-1-yl}-3-methylbenzoate
Type:
Small organic molecule
Emp. Form.:
C29H37NO8
Mol. Mass.:
527.606
SMILES:
[#6]-[#8]-[#6](=O)-c1cc(cc(-[#6])c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6]-[#6](-[#6])-[#6])\c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
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 [32P]GTP onto a poly(rC):oligo(dG) template:primer.
Residue:
3
Sequence:
NA