Reaction Details Report a problem with these data
Target
Reverse transcriptase protein
Ligand
BDBM50484631
Substrate
n/a
Meas. Tech.
ChEMBL_798903 (CHEMBL1943410)
Ki
4.3±n/a nM
Citation
 Gomez, R; Jolly, SJ; Williams, T; Vacca, JP; Torrent, M; McGaughey, G; Lai, MT; Felock, P; Munshi, V; Distefano, D; Flynn, J; Miller, M; Yan, Y; Reid, J; Sanchez, R; Liang, Y; Paton, B; Wan, BL; Anthony, N Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase. J Med Chem 54:7920-33 (2011) [PubMed]  Article 
Target
Name:
Reverse transcriptase protein
Synonyms:
Reverse Transcriptase | Reverse Transcriptase (A62V) | Reverse Transcriptase (F61A)
Type:
Protein
Mol. Mass.:
30203.56
Organism:
Human immunodeficiency virus 1
Description:
Q9WJQ2
Residue:
259
Sequence:
PISPIEPVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTRWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKRSVTVLDVGDAYFSVPLDKEFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLKWGFTTPDKKHQKEPPFLWMGYEHHPDKWTVQPIVLPEKDSWTVNDIQK
  
Inhibitor
Name:
BDBM50484631
Synonyms:
CHEMBL1939501
Type:
Small organic molecule
Emp. Form.:
C20H14Cl3N7O
Mol. Mass.:
474.73
SMILES:
NCc1cc(Cl)cc(Oc2c(Cl)ccc3n(Cc4n[nH]c5ncccc45)nnc23)c1Cl
Structure:
Search PDB for entries with ligand similarity: