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Target
Reverse transcriptase
Ligand
BDBM50493800
Substrate
n/a
Meas. Tech.
ChEMBL_989557 (CHEMBL2444613)
IC50
40±n/a nM
Citation
 Wu, HQ; Yan, ZH; Chen, WX; He, QQ; Chen, FE; De Clercq, E; Balzarini, J; Daelemans, D; Pannecouque, C Towards new C6-rigid S-DABO HIV-1 reverse transcriptase inhibitors: synthesis, biological investigation and molecular modeling studies. Bioorg Med Chem 21:6477-83 (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:
BDBM50493800
Synonyms:
CHEMBL2443101
Type:
Small organic molecule
Emp. Form.:
C22H21FN2O3S
Mol. Mass.:
412.477
SMILES:
COc1ccc(CSc2nc(C(=O)c3cccc(F)c3)c(C(C)C)c(=O)[nH]2)cc1
Structure:
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