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Target
Reverse transcriptase protein
Ligand
BDBM50103642
Substrate
n/a
Meas. Tech.
In vitro Anti-HIV RT Assay
IC50
89±n/a nM
Citation
 Zhang, L; Guo, J; Liu, X; Liu, H; De Clercq, E; Pannecouque, C; Liu, X Design, Synthesis, and Biological Evaluation of Novel Benzoyl Diarylamine/ether Derivatives as Potential Anti-HIV-1 Agents. Chem Biol Drug Des 86:333-43 (2015) [PubMed]  Article 
Target
Name:
Reverse transcriptase protein
Synonyms:
Gag-Pol polyprotein | HIV-1 Reverse transcriptase (HIV-1 RT) | Reverse Transcriptase (HIV-1 RT) | Reverse transcriptase (HIV1-RT)
Type:
Protein
Mol. Mass.:
30197.77
Organism:
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) (HIV-1)
Description:
Q9WJQ1
Residue:
259
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICAELEEEGKISRIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSIPLDEDFRKYTAFTIPSTNNETPGTRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYVDDLYVGSDLEIGQHRTKVEELRQHLWRWGFYTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQK
  
Inhibitor
Name:
BDBM50103642
Synonyms:
4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile | 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE | 4-[6-amino-5-bromo-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile | CHEMBL308954 | ETRAVIRINE | Etravirine (ETR) | Etravirine (ETV) | Etravirine (TMC125) | TMC 125 | TMC-125
Type:
Small organic molecule
Emp. Form.:
C20H15BrN6O
Mol. Mass.:
435.277
SMILES:
Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Structure:
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