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Target
Gag-Pol polyprotein [600-1027,V705A]/[600-1155,V705A]
Ligand
BDBM2096
Substrate
poly(rC)500:oligo(dG)10
Meas. Tech.
HIV-1 RT Assay
IC50
250±n/a nM
Citation
 Klunder, JM; Hoermann, M; Cywin, CL; David, E; Brickwood, JR; Schwartz, R; Barringer, KJ; Pauletti, D; Shih, CK; Erickson, DA; Sorge, CL; Joseph, DP; Hattox, SE; Adams, J; Grob, PM Novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 7. 8-Arylethyldipyridodiazepinones as potent broad-spectrum inhibitors of wild-type and mutant enzymes. J Med Chem 41:2960-71 (1998) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [600-1027,V705A]/[600-1155,V705A]
Synonyms:
EC: 2.7.7.49 | HIV-1 Reverse Transcriptase Mutant (V106A)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [600-1155,V705A]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (V106A) Chain A | POL_HV1B1 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
63900.75
Organism:
Human immunodeficiency virus type 1
Description:
P03366[600-1155,V705A]
Residue:
556
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSATVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGI
  
Component 2
Name:
Gag-Pol polyprotein [600-1027,V705A]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (V106A) Chain B | POL_HV1B1 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
49940.58
Organism:
Human immunodeficiency virus type 1
Description:
P03366[600-1027,V705A]
Residue:
428
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSATVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVKQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQ
  
Inhibitor
Name:
BDBM2096
Synonyms:
2,8-Substituted Dipyridodiazepinone 39 | 2-ethyl-5-fluoro-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
Type:
Small organic molecule
Emp. Form.:
C21H20FN5O
Mol. Mass.:
377.4148
SMILES:
CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
poly(rC)500:oligo(dG)10
Synonyms:
n/a
Type:
RNA\DNA duplex
Mol. Mass.:
358.43
Organism:
n/a
Description:
The incorporation of Tritium-labeled dGTP onto a (poly)rC:(oligo)dG template:primer.
Residue:
3
Sequence:
NA