Reaction Details Report a problem with these data
Target
Reverse transcriptase protein
Ligand
BDBM50478022
Substrate
n/a
Meas. Tech.
ChEMBL_465974 (CHEMBL947217)
IC50
4.0±n/a nM
Citation
 San Juan, AA 3D-QSAR models on clinically relevant K103N mutant HIV-1 reverse transcriptase obtained from two strategic considerations. Bioorg Med Chem Lett 18:1181-94 (2008) [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:
BDBM50478022
Synonyms:
CHEMBL202929
Type:
Small organic molecule
Emp. Form.:
C27H24ClF4N3O5
Mol. Mass.:
581.943
SMILES:
Cc1cc(OCCCNC(N)=O)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: