Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50027706
Substrate
n/a
Meas. Tech.
ChEMBL_1435391 (CHEMBL3383465)
IC50
4140±n/a nM
Citation
 Liu, Z; Chen, W; Zhan, P; De Clercq, E; Pannecouque, C; Liu, X Design, synthesis and anti-HIV evaluation of novel diarylnicotinamide derivatives (DANAs) targeting the entrance channel of the NNRTI binding pocket through structure-guided molecular hybridization. Eur J Med Chem 87:52-62 (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:
BDBM50027706
Synonyms:
CHEMBL3338520
Type:
Small organic molecule
Emp. Form.:
C25H23N5O2
Mol. Mass.:
425.4824
SMILES:
CCCNC(=O)c1cnc(Nc2ccc(cc2)C#N)cc1Oc1c(C)cc(cc1C)C#N
Structure:
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