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Target
Reverse transcriptase
Ligand
BDBM50063012
Substrate
n/a
Meas. Tech.
ChEMBL_1463313 (CHEMBL3399540)
IC50
193870±n/a nM
Citation
 Babkov, DA; Valuev-Elliston, VT; Paramonova, MP; Ozerov, AA; Ivanov, AV; Chizhov, AO; Khandazhinskaya, AL; Kochetkov, SN; Balzarini, J; Daelemans, D; Pannecouque, C; Seley-Radtke, KL; Novikov, MS Scaffold hopping: exploration of acetanilide-containing uracil analogues as potential NNRTIs. Bioorg Med Chem 23:1069-81 (2015) [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:
BDBM50063012
Synonyms:
CHEMBL3398100
Type:
Small organic molecule
Emp. Form.:
C22H23N3O3
Mol. Mass.:
377.4363
SMILES:
Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)NCc3ccccc3)c2=O)c1
Structure:
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