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Target
Reverse transcriptase
Ligand
BDBM50148764
Substrate
n/a
Meas. Tech.
ChEMBL_1763334 (CHEMBL4198581)
IC50
3700±n/a nM
Citation
 de Castro, S; Camarasa, MJ Polypharmacology in HIV inhibition: can a drug with simultaneous action against two relevant targets be an alternative to combination therapy? Eur J Med Chem 150:206-227 (2018) [PubMed]  Article
Target
Name:
Reverse transcriptase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
29598.37
Organism:
Human immunodeficiency virus 1
Description:
Q9WKE8
Residue:
254
Sequence:
PISPITVPVKLKPGMDGPKVKQWPLTEEKIKALTEICTEMEKEGKIEKIGPENPYNTPVFAIKKKDSTKWRKVVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIEQHRAKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVN
  
Inhibitor
Name:
BDBM50148764
Synonyms:
CHEMBL3142919 | [1-[2',5'-Bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[(3-[[[(benzyloxycarbonyl)hydroxyphosphonyl]-oxy]propyl]thymine]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)
Type:
Small organic molecule
Emp. Form.:
C35H56N3O13PSSi2
Mol. Mass.:
846.041
SMILES:
Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCOP(O)(=O)C(=O)OCc2ccccc2)c1=O |r,c:21|
Structure:
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