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Target
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]
Ligand
BDBM2070
Substrate
poly(rC)500:oligo(dG)10
Meas. Tech.
HIV-1 RT Assay
pH
7.8±n/a
Temperature
295.15±n/a K
IC50
210±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,R876K]/[600-1155]
Synonyms:
EC: 2.7.7.49 | HIV-1 Reverse Transcriptase
Type:
Protein Complex
Mol. Mass.:
113858
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [600-1155]
Synonyms:
HIV-1 Reverse Transcriptase Chain A | POL_HV1B1 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
63928.81
Organism:
Human immunodeficiency virus type 1
Description:
P03366[600-1155]
Residue:
556
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGI
  
Component 2
Name:
Gag-Pol polyprotein [600-1027,R876K]
Synonyms:
HIV-1 Reverse Transcriptase Chain B | POL_HV1B1 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
49968.63
Organism:
Human immunodeficiency virus type 1
Description:
P03366[600-1027,R876K]
Residue:
428
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVKQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQ
  
Inhibitor
Name:
BDBM2070
Synonyms:
3-{2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}propanenitrile | 8-Substituted Dipyridodiazepinone 11
Type:
Small organic molecule
Emp. Form.:
C17H17N5O
Mol. Mass.:
307.3498
SMILES:
CCN1c2ncccc2N(C)C(=O)c2cc(CCC#N)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