Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50459816
Substrate
n/a
Meas. Tech.
ChEMBL_1767095 (CHEMBL4202342)
IC50
263±n/a nM
Citation
 Alexandre, FR; Rahali, R; Rahali, H; Guillon, S; Convard, T; Fillgrove, K; Lai, MT; Meillon, JC; Xu, M; Small, J; Dousson, CB; Raheem, IT Synthesis and Antiviral Evaluation of Carbocyclic Nucleoside Analogs of Nucleoside Reverse Transcriptase Translocation Inhibitor MK-8591 (4'-Ethynyl-2-fluoro-2'-deoxyadenosine). J Med Chem 61:9218-9228 (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:
BDBM50459816
Synonyms:
CHEMBL518606
Type:
Small organic molecule
Emp. Form.:
C12H15FN5O12P3
Mol. Mass.:
533.1935
SMILES:
Nc1nc(F)nc2n(cnc12)[C@H]1C[C@H](O)[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O1)C#C |r|
Structure:
Search PDB for entries with ligand similarity: