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Target
Reverse transcriptase
Ligand
BDBM50495879
Substrate
n/a
Meas. Tech.
ChEMBL_1290640 (CHEMBL3116999)
IC50
37560±n/a nM
Citation
 Monforte, AM; Ferro, S; De Luca, L; Lo Surdo, G; Morreale, F; Pannecouque, C; Balzarini, J; Chimirri, A Design and synthesis of N?-aryl-benzimidazoles 2-substituted as novel HIV-1 non-nucleoside reverse transcriptase inhibitors. Bioorg Med Chem 22:1459-67 (2014) [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:
BDBM50495879
Synonyms:
CHEMBL3114046
Type:
Small organic molecule
Emp. Form.:
C25H21Cl2N3O5S2
Mol. Mass.:
578.487
SMILES:
COC(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3n2S(=O)(=O)c2cc(C)cc(C)c2)c(Cl)c1
Structure:
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