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Target
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]
Ligand
BDBM10235
Substrate
poly rC/biotin-dG15
Meas. Tech.
HIV-1 RT Assay
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
4.2±n/a nM
Citation
 Yoakim, C; Bonneau, PR; Deziel, R; Doyon, L; Duan, J; Guse, I; Landry, S; Malenfant, E; Naud, J; Ogilvie, WW; O'Meara, JA; Plante, R; Simoneau, B; Thavonekham, B; Bos, M; Cordingley, MG Novel nevirapine-like inhibitors with improved activity against NNRTI-resistant HIV: 8-heteroarylthiomethyldipyridodiazepinone derivatives. Bioorg Med Chem Lett 14:739-42 (2004) [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:
BDBM10235
Synonyms:
13-{[(2,6-dimethylpyridin-4-yl)sulfanyl]methyl}-2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one | 8-heteroarylthiomethyldipyridodiazepinone deriv. 17
Type:
Small organic molecule
Emp. Form.:
C22H23N5OS
Mol. Mass.:
405.516
SMILES:
CCN1c2nccc(C)c2NC(=O)c2cc(CSc3cc(C)nc(C)c3)cnc12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
poly rC/biotin-dG15
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:(biotin)dG template:primer.
Residue:
3
Sequence:
NA