Target
Reverse transcriptase
Ligand
BDBM50508293
Substrate
n/a
Meas. Tech.
ChEMBL_1832380 (CHEMBL4332388)
IC50
19±n/a nM
Citation
 Wang, ZYu, ZKang, DZhang, JTian, YDaelemans, DDe Clercq, EPannecouque, CZhan, PLiu, X Design, synthesis and biological evaluation of novel acetamide-substituted doravirine and its prodrugs as potent HIV-1 NNRTIs. Bioorg Med Chem 27:447-456 (2019) [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:
BDBM50508293
Synonyms:
Doravirine | MK-1439 | Pifeltro
Type:
Small organic molecule
Emp. Form.:
C17H11ClF3N5O3
Mol. Mass.:
425.749
SMILES:
Cn1c(Cn2ccc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: