Reaction Details Report a problem with these data
Target
Reverse transcriptase protein
Ligand
BDBM5051
Substrate
n/a
Meas. Tech.
ChEMBL_465974 (CHEMBL947217)
IC50
158±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:
BDBM5051
Synonyms:
5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-13-thiazol-2(3H)-ylidene)-2-hydroxybenzenesulfonamide | 5-chloro-N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]-2-hydroxybenzene-1-sulfonamide | thiazolidenebenzenesulfonamide deriv. 11f
Type:
Small organic molecule
Emp. Form.:
C13H14Cl2N2O3S2
Mol. Mass.:
381.298
SMILES:
CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n(C)c1Cl
Structure:
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