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Target
Reverse transcriptase
Ligand
BDBM50490935
Substrate
n/a
Meas. Tech.
ChEMBL_953196 (CHEMBL2353871)
IC50
3.0±n/a nM
Citation
 Bailey, CM; Sullivan, TJ; Iyidogan, P; Tirado-Rives, J; Chung, R; Ruiz-Caro, J; Mohamed, E; Jorgensen, WL; Jorgensen, W; Hunter, R; Anderson, KS Bifunctional inhibition of human immunodeficiency virus type 1 reverse transcriptase: mechanism and proof-of-concept as a novel therapeutic design strategy. J Med Chem 56:3959-68 (2013) [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:
BDBM50490935
Synonyms:
CHEMBL2348625 | d4TTP-4PEG-TMC
Type:
Small organic molecule
Emp. Form.:
C42H47N6O19P3
Mol. Mass.:
1032.7727
SMILES:
Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#CCOCCOCCOCCOCCOCC#Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:66|
Structure:
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