Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50468860
Substrate
n/a
Meas. Tech.
ChEMBL_701790 (CHEMBL1656927)
IC50
13000±n/a nM
Citation
 Tang, J; Maddali, K; Dreis, CD; Sham, YY; Vince, R; Pommier, Y; Wang, Z N-3 Hydroxylation of Pyrimidine-2,4-diones Yields Dual Inhibitors of HIV Reverse Transcriptase and Integrase. ACS Med Chem Lett 2:63-67 (2011) [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:
BDBM50468860
Synonyms:
CHEMBL1651645
Type:
Small organic molecule
Emp. Form.:
C17H22N2O4
Mol. Mass.:
318.3676
SMILES:
CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)n(O)c1=O
Structure:
Search PDB for entries with ligand similarity: