Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50501292
Substrate
n/a
Meas. Tech.
ChEMBL_1888835 (CHEMBL4390512)
IC50
4.5±n/a nM
Citation
 Sasaki, T; Gannam, ZTK; Kudalkar, SN; Frey, KM; Lee, WG; Spasov, KA; Jorgensen, WL; Anderson, KS Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase. Bioorg Med Chem Lett 29:2182-2188 (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:
BDBM50501292
Synonyms:
CHEMBL3342978
Type:
Small organic molecule
Emp. Form.:
C21H14F2N4O4
Mol. Mass.:
424.3571
SMILES:
Fc1ccc(Oc2cc(F)cn3cc(cc23)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1
Structure:
Search PDB for entries with ligand similarity: