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Target
Reverse transcriptase
Ligand
BDBM50459814
Substrate
n/a
Meas. Tech.
ChEMBL_1767095 (CHEMBL4202342)
IC50
3460±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:
BDBM50459814
Synonyms:
CHEMBL4211602
Type:
Small organic molecule
Emp. Form.:
C13H17FN5O11P3
Mol. Mass.:
531.2207
SMILES:
Nc1nc(F)nc2n(cnc12)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#C
Structure:
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